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PubMed code 9767636

Compile data set for download or QSAR
Found 38 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))		BDBM50067081
PNG
(9-Fluoro-2-furan-2-yl-5,6-dihydro-[1,2,4]triazolo[...)
Show SMILES Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8FN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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 7.90n/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 CHO cells

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50059376
PNG
(9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...)
Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
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 13n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABA from human adenosine A3 receptor expressed in CHO cells

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067081
PNG
(9-Fluoro-2-furan-2-yl-5,6-dihydro-[1,2,4]triazolo[...)
Show SMILES Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8FN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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 14n/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

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067082
PNG
((2-Amino-ethyl)-carbamic acid 4-(2,6-dioxo-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O5/c1-3-11-26-18-16(19(28)27(12-4-2)21(26)30)24-17(25-18)14-5-7-15(8-6-14)31-13-32-20(29)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,29)(H,24,25)
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 71n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABA from human adenosine A3 receptor expressed in CHO cells

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067082
PNG
((2-Amino-ethyl)-carbamic acid 4-(2,6-dioxo-1,3-dip...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCOC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O5/c1-3-11-26-18-16(19(28)27(12-4-2)21(26)30)24-17(25-18)14-5-7-15(8-6-14)31-13-32-20(29)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,29)(H,24,25)
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 108n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067081
PNG
(9-Fluoro-2-furan-2-yl-5,6-dihydro-[1,2,4]triazolo[...)
Show SMILES Nc1nc2ccc(F)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8FN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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 143n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50059376
PNG
(9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...)
Show SMILES COC(=O)C1=C2C=CN(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
Show InChI InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
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 172n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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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 200n/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 CHO cells

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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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 759n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [125I]-ABA from human adenosine A3 receptor expressed in CHO cells

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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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 1.70E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067080
PNG
(4-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1ccc(cc1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:10.11|
Show InChI InChI=1S/C22H18N4O/c1-27-17-11-9-15(10-12-17)21(23)26-22-18-7-3-2-6-16(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
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 3.10E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067075
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-propa...)
Show SMILES CC(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H18N2O/c1-16(23(26)17-9-3-2-4-10-17)22-19-12-6-5-11-18(19)15-21(25-22)20-13-7-8-14-24-20/h2-16H,1H3
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 3.70E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067092
PNG
(4-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1ccc(cc1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:9.10|
Show InChI InChI=1S/C22H18N4/c1-15-9-11-16(12-10-15)21(23)26-22-18-7-3-2-6-17(18)14-20(25-22)19-8-4-5-13-24-19/h2-14H,1H3,(H2,23,25,26)
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 5.80E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067075
PNG
(1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-propa...)
Show SMILES CC(C(=O)c1ccccc1)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C23H18N2O/c1-16(23(26)17-9-3-2-4-10-17)22-19-12-6-5-11-18(19)15-21(25-22)20-13-7-8-14-24-20/h2-16H,1H3
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 7.00E+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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067088
PNG
(3-Methoxy-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benz...)
Show SMILES COc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:10.11|
Show InChI InChI=1S/C22H18N4O/c1-27-17-9-6-8-16(13-17)21(23)26-22-18-10-3-2-7-15(18)14-20(25-22)19-11-4-5-12-24-19/h2-14H,1H3,(H2,23,25,26)
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 9.80E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067086
PNG
(3-Methyl-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES Cc1cccc(c1)C(N)=Nc1nc(cc2ccccc12)-c1ccccn1 |w:9.10|
Show InChI InChI=1S/C22H18N4/c1-15-7-6-9-17(13-15)21(23)26-22-18-10-3-2-8-16(18)14-20(25-22)19-11-4-5-12-24-19/h2-14H,1H3,(H2,23,25,26)
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 1.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067083
PNG
(1-Methanesulfonyl-3-pyridin-2-yl-isoquinoline | CH...)
Show SMILES CS(=O)(=O)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O2S/c1-20(18,19)15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 1.80E+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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067072
PNG
(1-Phenyl-3-pyridin-2-yl-isoquinoline | CHEMBL12884...)
Show SMILES c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N2/c1-2-8-15(9-3-1)20-17-11-5-4-10-16(17)14-19(22-20)18-12-6-7-13-21-18/h1-14H
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 1.90E+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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067087
PNG
(3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-b...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)c(Cl)c1 |w:2.2|
Show InChI InChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
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 2.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067094
PNG
(4-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1ccc(Cl)cc1 |w:2.2|
Show InChI InChI=1S/C21H15ClN4/c22-16-10-8-14(9-11-16)20(23)26-21-17-6-2-1-5-15(17)13-19(25-21)18-7-3-4-12-24-18/h1-13H,(H2,23,25,26)
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 2.30E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067074
PNG
(1-Chloro-3-pyridin-2-yl-isoquinoline | CHEMBL12851...)
Show SMILES Clc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C14H9ClN2/c15-14-11-6-2-1-5-10(11)9-13(17-14)12-7-3-4-8-16-12/h1-9H
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 2.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067090
PNG
(CHEMBL128269 | N-(2,6-Dimethyl-benzoyl)-2,6-dimeth...)
Show SMILES Cc1cccc(C)c1C(=O)N(C(=O)c1c(C)cccc1C)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C32H27N3O2/c1-20-11-9-12-21(2)28(20)31(36)35(32(37)29-22(3)13-10-14-23(29)4)30-25-16-6-5-15-24(25)19-27(34-30)26-17-7-8-18-33-26/h5-19H,1-4H3
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 3.20E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067078
PNG
(1-Methoxy-3-pyridin-2-yl-isoquinoline | CHEMBL3402...)
Show SMILES COc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 3.30E+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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067073
PNG
(1-Methylsulfanyl-3-pyridin-2-yl-isoquinoline | CHE...)
Show SMILES CSc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2S/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 3.90E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067093
PNG
(1-Ethyl-3-pyridin-2-yl-isoquinoline | CHEMBL129406)
Show SMILES CCc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C16H14N2/c1-2-14-13-8-4-3-7-12(13)11-16(18-14)15-9-5-6-10-17-15/h3-11H,2H2,1H3
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 5.10E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067078
PNG
(1-Methoxy-3-pyridin-2-yl-isoquinoline | CHEMBL3402...)
Show SMILES COc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 5.60E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067077
PNG
(3-Chloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benza...)
Show SMILES NC(=Nc1nc(cc2ccccc12)-c1ccccn1)c1cccc(Cl)c1 |w:2.2|
Show InChI InChI=1S/C21H15ClN4/c22-16-8-5-7-15(12-16)20(23)26-21-17-9-2-1-6-14(17)13-19(25-21)18-10-3-4-11-24-18/h1-13H,(H2,23,25,26)
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 7.80E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50067073
PNG
(1-Methylsulfanyl-3-pyridin-2-yl-isoquinoline | CHE...)
Show SMILES CSc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2S/c1-18-15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 1.20E+7n/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: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067072
PNG
(1-Phenyl-3-pyridin-2-yl-isoquinoline | CHEMBL12884...)
Show SMILES c1ccc(cc1)-c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H14N2/c1-2-8-15(9-3-1)20-17-11-5-4-10-16(17)14-19(22-20)18-12-6-7-13-21-18/h1-14H
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 1.20E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067083
PNG
(1-Methanesulfonyl-3-pyridin-2-yl-isoquinoline | CH...)
Show SMILES CS(=O)(=O)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C15H12N2O2S/c1-20(18,19)15-12-7-3-2-6-11(12)10-14(17-15)13-8-4-5-9-16-13/h2-10H,1H3
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 1.50E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
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
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50067085
PNG
(CHEMBL340806 | N-Acetyl-N-(3-pyridin-2-yl-isoquino...)
Show SMILES CC(=O)N(C(C)=O)c1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C18H15N3O2/c1-12(22)21(13(2)23)18-15-8-4-3-7-14(15)11-17(20-18)16-9-5-6-10-19-16/h3-11H,1-2H3
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 3.50E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of specific [125I]-AB-MECA binding at human adenosine A3 receptor expressed in HEK 293 cells.

J Med Chem 41: 3987-93 (1998)


Article DOI: 10.1021/jm980036q
BindingDB Entry DOI: 10.7270/Q2D21WR1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%