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Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with all data for entry = 50010109   
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



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-CHA from adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091116
PNG
(CHEMBL322983 | N-(2-Phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES O=C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16N4O/c28-23(16-9-3-1-4-10-16)25-22-21-19(18-13-7-8-14-20(18)24-22)15-27(26-21)17-11-5-2-6-12-17/h1-15H,(H,24,25,28)
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 2.10n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091137
PNG
(2-(4-Chloro-phenyl)-2,5-dihydro-pyrazolo[3,4-c]qui...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-9-13-12-3-1-2-4-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
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 2.90n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091129
PNG
(CHEMBL106520 | Cyclopentyl-(2-phenyl-2H-pyrazolo[3...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-10-16(11-3-1)25-14-18-17-12-6-7-13-19(17)23-21(20(18)24-25)22-15-8-4-5-9-15/h1-3,6-7,10-15H,4-5,8-9H2,(H,22,23)
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 3.20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50218920
PNG
(2-p-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-on...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O/c1-11-6-8-12(9-7-11)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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 3.20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50218911
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[3,4-c]qu...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-10-14-13-4-2-3-5-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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 3.20n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50218914
PNG
(2-m-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-on...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O/c1-11-5-4-6-12(9-11)20-10-14-13-7-2-3-8-15(13)18-17(21)16(14)19-20/h2-10H,1H3,(H,18,21)
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 5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091125
PNG
(1-Benzyl-3-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c30-24(25-15-17-9-3-1-4-10-17)27-23-22-20(19-13-7-8-14-21(19)26-23)16-29(28-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H2,25,26,27,30)
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 8.30n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091123
PNG
(CHEMBL104115 | Cyclohexyl-(2-phenyl-2H-pyrazolo[3,...)
Show SMILES C1CCC(CC1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-3-9-16(10-4-1)23-22-21-19(18-13-7-8-14-20(18)24-22)15-26(25-21)17-11-5-2-6-12-17/h2,5-8,11-16H,1,3-4,9-10H2,(H,23,24)
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 8.60n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091122
PNG
(CHEMBL317270 | Cyclopentyl-[2-(3-fluoro-phenyl)-2H...)
Show SMILES Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Show InChI InChI=1S/C21H19FN4/c22-14-6-5-9-16(12-14)26-13-18-17-10-3-4-11-19(17)24-21(20(18)25-26)23-15-7-1-2-8-15/h3-6,9-13,15H,1-2,7-8H2,(H,23,24)
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 9.30n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091136
PNG
(2-Phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c29-22(15-17-9-3-1-4-10-17)26-24-23-20(19-13-7-8-14-21(19)25-24)16-28(27-23)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26,29)
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 9.90n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091139
PNG
(CHEMBL442005 | Cyclohexyl-(2-m-tolyl-2H-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C23H24N4/c1-16-8-7-11-18(14-16)27-15-20-19-12-5-6-13-21(19)25-23(22(20)26-27)24-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,24,25)
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 22.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091110
PNG
(CHEMBL107414 | Cyclopentyl-(2-m-tolyl-2H-pyrazolo[...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Show InChI InChI=1S/C22H22N4/c1-15-7-6-10-17(13-15)26-14-19-18-11-4-5-12-20(18)24-22(21(19)25-26)23-16-8-2-3-9-16/h4-7,10-14,16H,2-3,8-9H2,1H3,(H,23,24)
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 22.3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091113
PNG
((8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl...)
Show SMILES Clc1ccc2nc(NC3CCCCC3)c3nn(cc3c2c1)-c1ccccc1
Show InChI InChI=1S/C22H21ClN4/c23-15-11-12-20-18(13-15)19-14-27(17-9-5-2-6-10-17)26-21(19)22(25-20)24-16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8H2,(H,24,25)
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 27.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50218922
PNG
(2-Phenyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-one...)
Show SMILES O=c1[nH]c2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
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 30.8n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091143
PNG
(CHEMBL106986 | Phenethyl-(2-phenyl-2H-pyrazolo[3,4...)
Show SMILES C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26)
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 32.9n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091126
PNG
(Benzyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-...)
Show SMILES C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25)
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 35.8n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091110
PNG
(CHEMBL107414 | Cyclopentyl-(2-m-tolyl-2H-pyrazolo[...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Show InChI InChI=1S/C22H22N4/c1-15-7-6-10-17(13-15)26-14-19-18-11-4-5-12-20(18)24-22(21(19)25-26)23-16-8-2-3-9-16/h4-7,10-14,16H,2-3,8-9H2,1H3,(H,23,24)
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 40.7n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091139
PNG
(CHEMBL442005 | Cyclohexyl-(2-m-tolyl-2H-pyrazolo[3...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C23H24N4/c1-16-8-7-11-18(14-16)27-15-20-19-12-5-6-13-21(19)25-23(22(20)26-27)24-17-9-3-2-4-10-17/h5-8,11-15,17H,2-4,9-10H2,1H3,(H,24,25)
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 44.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091120
PNG
(8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[3,4-c]quino...)
Show SMILES Clc1ccc2[nH]c(=O)c3nn(cc3c2c1)-c1ccccc1
Show InChI InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)13-9-20(11-4-2-1-3-5-11)19-15(13)16(21)18-14/h1-9H,(H,18,21)
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 44.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091141
PNG
(2-(3-Fluoro-phenyl)-2,5-dihydro-pyrazolo[3,4-c]qui...)
Show SMILES Fc1cccc(c1)-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C16H10FN3O/c17-10-4-3-5-11(8-10)20-9-13-12-6-1-2-7-14(12)18-16(21)15(13)19-20/h1-9H,(H,18,21)
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 45.3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091114
PNG
(CHEMBL320741 | N-(2-Phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
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 48.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))		BDBM50091131
PNG
(2-(3-Fluoro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-y...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19)
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 49.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in bovine striatal membranes.

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091124
PNG
(CHEMBL104177 | Cyclohexyl-[2-(3-fluoro-phenyl)-2H-...)
Show SMILES Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C22H21FN4/c23-15-7-6-10-17(13-15)27-14-19-18-11-4-5-12-20(18)25-22(21(19)26-27)24-16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2,(H,24,25)
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 54.7n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091118
PNG
(CHEMBL318323 | [2-(4-Chloro-phenyl)-2H-pyrazolo[3,...)
Show SMILES Clc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C22H21ClN4/c23-15-10-12-17(13-11-15)27-14-19-18-8-4-5-9-20(18)25-22(21(19)26-27)24-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,24,25)
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 56.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091143
PNG
(CHEMBL106986 | Phenethyl-(2-phenyl-2H-pyrazolo[3,4...)
Show SMILES C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H20N4/c1-3-9-18(10-4-1)15-16-25-24-23-21(20-13-7-8-14-22(20)26-24)17-28(27-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2,(H,25,26)
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 60.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091129
PNG
(CHEMBL106520 | Cyclopentyl-(2-phenyl-2H-pyrazolo[3...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-10-16(11-3-1)25-14-18-17-12-6-7-13-19(17)23-21(20(18)24-25)22-15-8-4-5-9-15/h1-3,6-7,10-15H,4-5,8-9H2,(H,22,23)
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 60.5n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091127
PNG
(2-Phenyl-5-propyl-2,5-dihydro-pyrazolo[3,4-c]quino...)
Show SMILES CCCn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-2-12-21-17-11-7-6-10-15(17)16-13-22(20-18(16)19(21)23)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3
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 68.4n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091117
PNG
(2-Phenyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2-...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c17-16-15-13(12-8-4-5-9-14(12)18-16)10-20(19-15)11-6-2-1-3-7-11/h1-10H,(H2,17,18)
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 69.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091142
PNG
(CHEMBL106906 | Cyclohexyl-(2-p-tolyl-2H-pyrazolo[3...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C23H24N4/c1-16-11-13-18(14-12-16)27-15-20-19-9-5-6-10-21(19)25-23(22(20)26-27)24-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,25)
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 71.9n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091114
PNG
(CHEMBL320741 | N-(2-Phenyl-2H-pyrazolo[3,4-c]quino...)
Show SMILES CC(=O)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
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 75.9n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091121
PNG
(2-o-Tolyl-2,5-dihydro-pyrazolo[3,4-c]quinolin-4-on...)
Show SMILES Cc1ccccc1-n1cc2c(n1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C17H13N3O/c1-11-6-2-5-9-15(11)20-10-13-12-7-3-4-8-14(12)18-17(21)16(13)19-20/h2-10H,1H3,(H,18,21)
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 79.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091133
PNG
(8-Chloro-2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yla...)
Show SMILES Nc1nc2ccc(Cl)cc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C16H11ClN4/c17-10-6-7-14-12(8-10)13-9-21(11-4-2-1-3-5-11)20-15(13)16(18)19-14/h1-9H,(H2,18,19)
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 86.1n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091128
PNG
(2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 90.2n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091130
PNG
(2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 99.3n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091136
PNG
(2-Phenyl-N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES O=C(Cc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H18N4O/c29-22(15-17-9-3-1-4-10-17)26-24-23-20(19-13-7-8-14-21(19)25-24)16-28(27-23)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,25,26,29)
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 107n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091119
PNG
(1-Phenyl-3-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES O=C(Nc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C23H17N5O/c29-23(24-16-9-3-1-4-10-16)26-22-21-19(18-13-7-8-14-20(18)25-22)15-28(27-21)17-11-5-2-6-12-17/h1-15H,(H2,24,25,26,29)
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 108n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091131
PNG
(2-(3-Fluoro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-y...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19)
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 110n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091142
PNG
(CHEMBL106906 | Cyclohexyl-(2-p-tolyl-2H-pyrazolo[3...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C23H24N4/c1-16-11-13-18(14-12-16)27-15-20-19-9-5-6-10-21(19)25-23(22(20)26-27)24-17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H,24,25)
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 115n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091134
PNG
(5-Methyl-2-phenyl-2,5-dihydro-pyrazolo[3,4-c]quino...)
Show SMILES Cn1c2ccccc2c2cn(nc2c1=O)-c1ccccc1
Show InChI InChI=1S/C17H13N3O/c1-19-15-10-6-5-9-13(15)14-11-20(18-16(14)17(19)21)12-7-3-2-4-8-12/h2-11H,1H3
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 118n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091130
PNG
(2-m-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1cccc(c1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-5-4-6-12(9-11)21-10-14-13-7-2-3-8-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 129n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091126
PNG
(Benzyl-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)-...)
Show SMILES C(Nc1nc2ccccc2c2cn(nc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N4/c1-3-9-17(10-4-1)15-24-23-22-20(19-13-7-8-14-21(19)25-23)16-27(26-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H,24,25)
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 132n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091132
PNG
(CHEMBL419002 | Cyclopentyl-(2-o-tolyl-2H-pyrazolo[...)
Show SMILES Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Show InChI InChI=1S/C22H22N4/c1-15-8-2-7-13-20(15)26-14-18-17-11-5-6-12-19(17)24-22(21(18)25-26)23-16-9-3-4-10-16/h2,5-8,11-14,16H,3-4,9-10H2,1H3,(H,23,24)
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 148n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091135
PNG
(2-(4-Chloro-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-y...)
Show SMILES Nc1nc2ccccc2c2cn(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN4/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19)
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 150n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091132
PNG
(CHEMBL419002 | Cyclopentyl-(2-o-tolyl-2H-pyrazolo[...)
Show SMILES Cc1ccccc1-n1cc2c(n1)c(NC1CCCC1)nc1ccccc21
Show InChI InChI=1S/C22H22N4/c1-15-8-2-7-13-20(15)26-14-18-17-11-5-6-12-19(17)24-22(21(18)25-26)23-16-9-3-4-10-16/h2,5-8,11-14,16H,3-4,9-10H2,1H3,(H,23,24)
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 152n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091124
PNG
(CHEMBL104177 | Cyclohexyl-[2-(3-fluoro-phenyl)-2H-...)
Show SMILES Fc1cccc(c1)-n1cc2c(n1)c(NC1CCCCC1)nc1ccccc21
Show InChI InChI=1S/C22H21FN4/c23-15-7-6-10-17(13-15)27-14-19-18-11-4-5-12-20(18)25-22(21(19)26-27)24-16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9H2,(H,24,25)
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 155n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091125
PNG
(1-Benzyl-3-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES O=C(NCc1ccccc1)Nc1nc2ccccc2c2cn(nc12)-c1ccccc1
Show InChI InChI=1S/C24H19N5O/c30-24(25-15-17-9-3-1-4-10-17)27-23-22-20(19-13-7-8-14-21(19)26-23)16-29(28-22)18-11-5-2-6-12-18/h1-14,16H,15H2,(H2,25,26,27,30)
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 186n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50091144
PNG
(2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 188n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


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

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091144
PNG
(2-p-Tolyl-2H-pyrazolo[3,4-c]quinolin-4-ylamine | 2...)
Show SMILES Cc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 215n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
Adenosine receptor A1


(BOVINE)		BDBM50091128
PNG
(2-(4-Methoxy-phenyl)-2H-pyrazolo[3,4-c]quinolin-4-...)
Show SMILES COc1ccc(cc1)-n1cc2c(n1)c(N)nc1ccccc21
Show InChI InChI=1S/C17H14N4O/c1-22-12-8-6-11(7-9-12)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
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 238n/an/an/an/an/an/an/an/a



Universita' di Firenze

Curated by ChEMBL


Assay Description
Displacement of specific [3H]-CHA binding at adenosine A1 receptor in bovine brain membranes

J Med Chem 43: 3118-24 (2000)


BindingDB Entry DOI: 10.7270/Q28S4P52
More data for this
Ligand-Target Pair
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