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Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'cecchi' and Initial = 'l'   
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)
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 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)		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 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)
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 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)
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 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)
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 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)
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 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)
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 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)
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 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))		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 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))		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 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))		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)
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 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)
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 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)
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 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)
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 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)
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 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 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 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)
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 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)
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 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 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)		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)
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 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)
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 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)		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)		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)
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 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)
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 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)
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 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)
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 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)
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 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)
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 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)
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 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)
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 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)		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 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)
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 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 A2a


(Rattus norvegicus (rat))		BDBM50034383
PNG
(1-(3-Amino-phenyl)-3-methyl-1H-chromeno[2,3-c]pyra...)
Show SMILES Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12
Show InChI InChI=1S/C17H13N3O2/c1-10-15-16(21)13-7-2-3-8-14(13)22-17(15)20(19-10)12-6-4-5-11(18)9-12/h2-9H,18H2,1H3
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 25n/an/an/an/an/an/an/an/a



Università di Firenze

Curated by ChEMBL


Assay Description
Binding activity against Adenosine A2A receptor using [3H]-CGS- 21680 as a radioligand.

J Med Chem 38: 1330-6 (1995)


BindingDB Entry DOI: 10.7270/Q27S7MTK
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))		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)
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 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)
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 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)
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 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))		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 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
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 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 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))		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)
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 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))		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
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