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PubMed code 9767637

Compile data set for download or QSAR
Found 31 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 A3


(Homo sapiens (Human))		BDBM50067116
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-11-9-15(10-12-17)22(26)25-21-18-7-3-2-6-16(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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PubMed
 1.70E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067097
PNG
(3,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(13-16(15)2)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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 6.90E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067111
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-9-11-16(12-10-15)22(26)25-21-18-7-3-2-6-17(18)14-20(24-21)19-8-4-5-13-23-19/h2-14H,1H3,(H,24,25,26)
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 9.60E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067099
PNG
(3-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O2/c1-27-17-9-6-8-16(13-17)22(26)25-21-18-10-3-2-7-15(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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 1.50E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067117
PNG
(4-Methoxy-N-(2-pyridin-2-yl-quinazolin-4-yl)-benza...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H16N4O2/c1-27-15-11-9-14(10-12-15)21(26)25-19-16-6-2-3-7-17(16)23-20(24-19)18-8-4-5-13-22-18/h2-13H,1H3,(H,23,24,25,26)
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 1.50E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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 2.00E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067114
PNG
(4-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H14ClN3O/c22-16-10-8-14(9-11-16)21(26)25-20-17-6-2-1-5-15(17)13-19(24-20)18-7-3-4-12-23-18/h1-13H,(H,24,25,26)
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 2.00E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067113
PNG
(3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H13Cl2N3O/c22-16-9-8-14(11-17(16)23)21(27)26-20-15-6-2-1-5-13(15)12-19(25-20)18-7-3-4-10-24-18/h1-12H,(H,25,26,27)
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 2.10E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067107
PNG
(CHEMBL424259 | N-(2-Pyridin-2-yl-quinazolin-4-yl)-...)
Show SMILES O=C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C20H14N4O/c25-20(14-8-2-1-3-9-14)24-18-15-10-4-5-11-16(15)22-19(23-18)17-12-6-7-13-21-17/h1-13H,(H,22,23,24,25)
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 2.30E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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 2.30E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067079
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...)
Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
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 2.40E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067095
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C22H17N3O/c1-15-7-6-9-17(13-15)22(26)25-21-18-10-3-2-8-16(18)14-20(24-21)19-11-4-5-12-23-19/h2-14H,1H3,(H,24,25,26)
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 2.40E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067098
PNG
(3,4-Dimethoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O3/c1-28-20-11-10-16(14-21(20)29-2)23(27)26-22-17-8-4-3-7-15(17)13-19(25-22)18-9-5-6-12-24-18/h3-14H,1-2H3,(H,25,26,27)
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 3.10E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067101
PNG
(3,5-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1cc(C)cc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-11-16(2)13-18(12-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-10-24-20/h3-14H,1-2H3,(H,25,26,27)
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 3.20E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067105
PNG
(2,4-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(C(=O)Nc2nc(cc3ccccc23)-c2ccccn2)c(C)c1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-18(16(2)13-15)23(27)26-22-19-8-4-3-7-17(19)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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 3.60E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067103
PNG
(2,5-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1ccc(C)c(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-10-11-16(2)19(13-15)23(27)26-22-18-8-4-3-7-17(18)14-21(25-22)20-9-5-6-12-24-20/h3-14H,1-2H3,(H,25,26,27)
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 4.30E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067100
PNG
(CHEMBL130054 | N-Benzoyl-N-(2-pyridin-2-yl-quinazo...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C27H18N4O2/c32-26(19-11-3-1-4-12-19)31(27(33)20-13-5-2-6-14-20)25-21-15-7-8-16-22(21)29-24(30-25)23-17-9-10-18-28-23/h1-18H
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 4.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067079
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethan...)
Show SMILES O=C(Cc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
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 6.60E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067089
PNG
(CHEMBL72897 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)-...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1 |w:2.2|
Show InChI InChI=1S/C21H16N4/c22-20(15-8-2-1-3-9-15)25-21-17-11-5-4-10-16(17)14-19(24-21)18-12-6-7-13-23-18/h1-14H,(H2,22,24,25)
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 7.40E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067102
PNG
(3-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Clc1cccc(c1)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H14ClN3O/c22-16-8-5-7-15(12-16)21(26)25-20-17-9-2-1-6-14(17)13-19(24-20)18-10-3-4-11-23-18/h1-13H,(H,24,25,26)
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 7.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067110
PNG
(2,6-Dimethyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES Cc1cccc(C)c1C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H19N3O/c1-15-8-7-9-16(2)21(15)23(27)26-22-18-11-4-3-10-17(18)14-20(25-22)19-12-5-6-13-24-19/h3-14H,1-2H3,(H,25,26,27)
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 2.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067096
PNG
(CHEMBL71053 | N-(3-(pyridin-2-yl)isoquinolin-1-yl)...)
Show SMILES O=C(Nc1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C21H15N3O/c25-21(15-8-2-1-3-9-15)24-20-17-11-5-4-10-16(17)14-19(23-20)18-12-6-7-13-22-18/h1-14H,(H,23,24,25)
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 3.20E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067108
PNG
(CHEMBL131713 | N-(2-Pyridin-2-yl-quinazolin-4-yl)-...)
Show SMILES NC=Nc1nc(nc2ccccc12)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C14H11N5/c15-9-17-13-10-5-1-2-6-11(10)18-14(19-13)12-7-3-4-8-16-12/h1-9H,(H2,15,17,18,19)
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 4.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells at 10e-5 M

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067084
PNG
(CHEMBL128396 | N-Benzoyl-N-(3-pyridin-2-yl-isoquin...)
Show SMILES O=C(N(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C28H19N3O2/c32-27(20-11-3-1-4-12-20)31(28(33)21-13-5-2-6-14-21)26-23-16-8-7-15-22(23)19-25(30-26)24-17-9-10-18-29-24/h1-19H
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 4.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPCPX from Adenosine A1 receptor of rat cortical membrane

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067106
PNG
(CHEMBL131068 | N-(2-Pyridin-2-yl-quinazolin-4-yl)-...)
Show SMILES CC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N4O/c1-10(20)17-14-11-6-2-3-7-12(11)18-15(19-14)13-8-4-5-9-16-13/h2-9H,1H3,(H,17,18,19,20)
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 1.10E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067104
PNG
(CHEMBL128520 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES CC(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C16H13N3O/c1-11(20)18-16-13-7-3-2-6-12(13)10-15(19-16)14-8-4-5-9-17-14/h2-10H,1H3,(H,18,19,20)
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 1.30E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067076
PNG
(CHEMBL341025 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES NC=Nc1nc(cc2ccccc12)-c1ccccn1 |w:1.0|
Show InChI InChI=1S/C15H12N4/c16-10-18-15-12-6-2-1-5-11(12)9-14(19-15)13-7-3-4-8-17-13/h1-10H,(H2,16,18,19)
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 2.00E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067109
PNG
(2-Pyridin-2-yl-quinazolin-4-ol | CHEMBL128427)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C13H9N3O/c17-13-9-5-1-2-6-10(9)15-12(16-13)11-7-3-4-8-14-11/h1-8H,(H,15,16,17)
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 2.20E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067091
PNG
(3-Pyridin-2-yl-isoquinolin-1-ol | CHEMBL128943)
Show SMILES O=c1[nH]c(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H10N2O/c17-14-11-6-2-1-5-10(11)9-13(16-14)12-7-3-4-8-15-12/h1-9H,(H,16,17)
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 2.70E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067115
PNG
(CHEMBL335744 | N-(3-Pyridin-2-yl-isoquinolin-1-yl)...)
Show SMILES CC(C)C(=O)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-12(2)18(22)21-17-14-8-4-3-7-13(14)11-16(20-17)15-9-5-6-10-19-15/h3-12H,1-2H3,(H,20,21,22)
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 4.80E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells at 10e-5 M

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067112
PNG
(2,2,2-Trifluoro-N-(2-pyridin-2-yl-quinazolin-4-yl)...)
Show SMILES FC(F)(F)C(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H9F3N4O/c16-15(17,18)14(23)22-12-9-5-1-2-6-10(9)20-13(21-12)11-7-3-4-8-19-11/h1-8H,(H,20,21,22,23)
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 8.60E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Tested for antagonist activity by displacement of specific [125I]-AB-MECA binding at human Adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3994-4000 (1998)


Article DOI: 10.1021/jm980037i
BindingDB Entry DOI: 10.7270/Q2891513
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%