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PubMed code 10841801

Compile data set for download or QSAR
Found 33 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))		BDBM50088465
PNG
(1-Phenyl-3-(3-pyridin-2-yl-isoquinolin-1-yl)-urea ...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(cc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H16N4O/c26-21(23-16-9-2-1-3-10-16)25-20-17-11-5-4-8-15(17)14-19(24-20)18-12-6-7-13-22-18/h1-14H,(H2,23,24,25,26)
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 76n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088466
PNG
(9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-...)
Show SMILES COC(=O)C1=C2C=CC(C)C=C2c2nc(nn2C1)-c1ccccc1 |c:4,6,10|
Show InChI InChI=1S/C19H17N3O2/c1-12-8-9-14-15(10-12)18-20-17(13-6-4-3-5-7-13)21-22(18)11-16(14)19(23)24-2/h3-10,12H,11H2,1-2H3
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 172n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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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 200n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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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 240n/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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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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 660n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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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 730n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
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+3n/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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088475
PNG
(1-(2-Methoxy-phenyl)-3-(2-pyridin-3-yl-quinazolin-...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-11-5-4-10-17(18)24-21(27)26-20-15-8-2-3-9-16(15)23-19(25-20)14-7-6-12-22-13-14/h2-13H,1H3,(H2,23,24,25,26,27)
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 4.03E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088478
PNG
(1-(2-Pyridin-3-yl-quinazolin-4-yl)-3-o-tolyl-urea ...)
Show SMILES Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H17N5O/c1-14-7-2-4-10-17(14)24-21(27)26-20-16-9-3-5-11-18(16)23-19(25-20)15-8-6-12-22-13-15/h2-13H,1H3,(H2,23,24,25,26,27)
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 2.39E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088463
PNG
(1-(2-Methoxy-phenyl)-3-(2-pyridin-2-yl-quinazolin-...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)
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 2.82E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088462
PNG
(1-Phenyl-3-(2-pyridin-3-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
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 5.09E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088469
PNG
(1-(2-(diethylamino)quinazolin-4-yl)-3-phenylurea |...)
Show SMILES CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25)
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 6.48E+4n/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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088473
PNG
(1-Phenyl-3-(2-pyrrolidin-1-yl-quinazolin-4-yl)-ure...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)N1CCCC1
Show InChI InChI=1S/C19H19N5O/c25-19(20-14-8-2-1-3-9-14)23-17-15-10-4-5-11-16(15)21-18(22-17)24-12-6-7-13-24/h1-5,8-11H,6-7,12-13H2,(H2,20,21,22,23,25)
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 8.23E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088463
PNG
(1-(2-Methoxy-phenyl)-3-(2-pyridin-2-yl-quinazolin-...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H17N5O2/c1-28-18-12-5-4-10-16(18)24-21(27)26-19-14-8-2-3-9-15(14)23-20(25-19)17-11-6-7-13-22-17/h2-13H,1H3,(H2,23,24,25,26,27)
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 8.45E+4n/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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088471
PNG
(1-(2-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c1-28-19-14-8-7-13-18(19)24-22(27)26-21-16-11-5-6-12-17(16)23-20(25-21)15-9-3-2-4-10-15/h2-14H,1H3,(H2,23,24,25,26,27)
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 8.73E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088477
PNG
(1-(2-Phenyl-quinazolin-4-yl)-3-o-tolyl-urea | CHEM...)
Show SMILES Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c1-15-9-5-7-13-18(15)24-22(27)26-21-17-12-6-8-14-19(17)23-20(25-21)16-10-3-2-4-11-16/h2-14H,1H3,(H2,23,24,25,26,27)
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 1.15E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088470
PNG
(1-Phenyl-3-(2-pyridin-4-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-6-2-1-3-7-15)25-19-16-8-4-5-9-17(16)23-18(24-19)14-10-12-21-13-11-14/h1-13H,(H2,22,23,24,25,26)
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 1.66E+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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088462
PNG
(1-Phenyl-3-(2-pyridin-3-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-8-2-1-3-9-15)25-19-16-10-4-5-11-17(16)23-18(24-19)14-7-6-12-21-13-14/h1-13H,(H2,22,23,24,25,26)
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 1.70E+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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088469
PNG
(1-(2-(diethylamino)quinazolin-4-yl)-3-phenylurea |...)
Show SMILES CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25)
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 1.78E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088460
PNG
(1-(2-Chloro-phenyl)-3-(2-phenyl-quinazolin-4-yl)-u...)
Show SMILES Clc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H15ClN4O/c22-16-11-5-7-13-18(16)24-21(27)26-20-15-10-4-6-12-17(15)23-19(25-20)14-8-2-1-3-9-14/h1-13H,(H2,23,24,25,26,27)
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 2.20E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088468
PNG
(1-(2-Furan-2-yl-quinazolin-4-yl)-3-phenyl-urea | C...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C19H14N4O2/c24-19(20-13-7-2-1-3-8-13)23-17-14-9-4-5-10-15(14)21-18(22-17)16-11-6-12-25-16/h1-12H,(H2,20,21,22,23,24)
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 2.57E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088474
PNG
(1-[2-(6-Methyl-pyridin-2-yl)-quinazolin-4-yl]-3-ph...)
Show SMILES Cc1cccc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C21H17N5O/c1-14-8-7-13-18(22-14)20-24-17-12-6-5-11-16(17)19(25-20)26-21(27)23-15-9-3-2-4-10-15/h2-13H,1H3,(H2,23,24,25,26,27)
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 2.64E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088467
PNG
(1-Phenyl-3-(2-phenyl-quinazolin-4-yl)-urea | CHEMB...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C21H16N4O/c26-21(22-16-11-5-2-6-12-16)25-20-17-13-7-8-14-18(17)23-19(24-20)15-9-3-1-4-10-15/h1-14H,(H2,22,23,24,25,26)
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 2.87E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088478
PNG
(1-(2-Pyridin-3-yl-quinazolin-4-yl)-3-o-tolyl-urea ...)
Show SMILES Cc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H17N5O/c1-14-7-2-4-10-17(14)24-21(27)26-20-16-9-3-5-11-18(16)23-19(25-20)15-8-6-12-22-13-15/h2-13H,1H3,(H2,23,24,25,26,27)
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 2.95E+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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088470
PNG
(1-Phenyl-3-(2-pyridin-4-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C20H15N5O/c26-20(22-15-6-2-1-3-7-15)25-19-16-8-4-5-9-17(16)23-18(24-19)14-10-12-21-13-11-14/h1-13H,(H2,22,23,24,25,26)
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 3.36E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088476
PNG
(1-Phenyl-3-(2-pyridin-2-yl-quinazolin-4-yl)-urea |...)
Show SMILES O=C(Nc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C20H15N5O/c26-20(22-14-8-2-1-3-9-14)25-18-15-10-4-5-11-16(15)23-19(24-18)17-12-6-7-13-21-17/h1-13H,(H2,22,23,24,25,26)
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 4.95E+5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088472
PNG
(1-Phenyl-3-quinazolin-4-yl-urea | 1-phenyl-3-(quin...)
Show SMILES O=C(Nc1ccccc1)Nc1ncnc2ccccc12
Show InChI InChI=1S/C15H12N4O/c20-15(18-11-6-2-1-3-7-11)19-14-12-8-4-5-9-13(12)16-10-17-14/h1-10H,(H2,16,17,18,19,20)
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 1.18E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088459
PNG
(1-[2-(4,6-Dimethyl-pyrimidin-2-yl)-quinazolin-4-yl...)
Show SMILES Cc1cc(C)nc(n1)-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C21H18N6O/c1-13-12-14(2)23-19(22-13)20-25-17-11-7-6-10-16(17)18(26-20)27-21(28)24-15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,24,25,26,27,28)
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 1.26E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088461
PNG
(1-(3-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...)
Show SMILES COc1cccc(NC(=O)Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C22H18N4O2/c1-28-17-11-7-10-16(14-17)23-22(27)26-21-18-12-5-6-13-19(18)24-20(25-21)15-8-3-2-4-9-15/h2-14H,1H3,(H2,23,24,25,26,27)
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 2.04E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50088471
PNG
(1-(2-Methoxy-phenyl)-3-(2-phenyl-quinazolin-4-yl)-...)
Show SMILES COc1ccccc1NC(=O)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H18N4O2/c1-28-19-14-8-7-13-18(19)24-22(27)26-21-16-11-5-6-12-17(16)23-20(25-21)15-9-3-2-4-10-15/h2-14H,1H3,(H2,23,24,25,26,27)
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 3.87E+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 brain cortical membrane

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50088464
PNG
(1-(2-tert-Butyl-quinazolin-4-yl)-3-phenyl-urea | C...)
Show SMILES CC(C)(C)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O/c1-19(2,3)17-21-15-12-8-7-11-14(15)16(22-17)23-18(24)20-13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,20,21,22,23,24)
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 7.87E+7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by its ability to displace [125I]-AB-MECA from human adenosine A3 receptor expressed in HEK 293 cells

J Med Chem 43: 2227-38 (2000)


BindingDB Entry DOI: 10.7270/Q2T72GNJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%