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PubMed code 11454470

Compile data set for download or QSAR
Found 17 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 A1


(Rattus norvegicus (rat))		BDBM50101787
PNG
(4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11ClN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
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 18n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101782
PNG
(4-Nitro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHEM...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11N3O3S/c20-15(12-6-8-13(9-7-12)19(21)22)18-16-17-14(10-23-16)11-4-2-1-3-5-11/h1-10H,(H,17,18,20)
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 22n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50097423
PNG
(4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
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 32n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101783
PNG
(4-Bromo-N-(4-phenyl-thiazol-2-yl)-benzamide | CHEM...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11BrN2OS/c17-13-8-6-12(7-9-13)15(20)19-16-18-14(10-21-16)11-4-2-1-3-5-11/h1-10H,(H,18,19,20)
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 33n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101781
PNG
(4-Methyl-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c1-12-7-9-14(10-8-12)16(20)19-17-18-15(11-21-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
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 36n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101790
PNG
(CHEMBL60334 | N-(4-Phenyl-thiazol-2-yl)-benzamide)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H12N2OS/c19-15(13-9-5-2-6-10-13)18-16-17-14(11-20-16)12-7-3-1-4-8-12/h1-11H,(H,17,18,19)
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 39n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101786
PNG
(2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide |...)
Show SMILES Clc1ccc(C(=O)Nc2nc(cs2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
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 58n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101784
PNG
(3,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide |...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
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 59n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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 76n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
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 79n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50097423
PNG
(4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benz...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
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 82n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101789
PNG
(3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide | CHE...)
Show SMILES Clc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-14(10-21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
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 86n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101788
PNG
(CHEMBL59978 | N-(4-Phenyl-thiazol-2-yl)-4-trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H11F3N2OS/c18-17(19,20)13-8-6-12(7-9-13)15(23)22-16-21-14(10-24-16)11-4-2-1-3-5-11/h1-10H,(H,21,22,23)
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 165n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))		BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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 670n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50101785
PNG
(4-tert-Butyl-N-(4-phenyl-thiazol-2-yl)-benzamide |...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C20H20N2OS/c1-20(2,3)16-11-9-15(10-12-16)18(23)22-19-21-17(13-24-19)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,21,22,23)
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 1.36E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Rattus norvegicus (rat))		BDBM50097431
PNG
(4-Methoxy-N-(4-phenyl-thiazol-2-yl)-benzamide | 4-...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H14N2O2S/c1-21-14-9-7-13(8-10-14)16(20)19-17-18-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19,20)
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 1.90E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-ZM-241,385 from A2A receptor in rat striatal membrane

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))		BDBM50097446
PNG
(4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
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 3.00E+3n/an/an/an/an/an/an/an/a



Leiden/Amsterdam Center for Drug Research

Curated by ChEMBL


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

Bioorg Med Chem Lett 11: 2017-9 (2001)


BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%