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13 similar compounds to monomer 50101787

Compile data set for download or QSAR
Wt: 410.8
BDBM50091997
Wt: 310.3
BDBM50097431
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Wt: 294.3
BDBM50101781
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Wt: 359.2
BDBM50101783
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Wt: 280.3
BDBM50101790
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Wt: 349.2
BDBM50101784
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Wt: 336.4
BDBM50101785
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Wt: 349.2
BDBM50101786
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Wt: 348.3
BDBM50101788
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Wt: 314.7
BDBM50101789
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Wt: 281.3
BDBM50255300
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Wt: 329.8
BDBM50301522
Wt: 312.3
BDBM50301530

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50091997,50097431,50101781,50101783,50101790,50101784,50101785,50101786,50101788,50101789,50255300,50301522,50301530   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortical membrane in presence of 100 uM GTP


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
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



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical membrane


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A3 receptor


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
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



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 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
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)


Article DOI: 10.1016/s0960-894x(01)00356-0
BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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)


Article DOI: 10.1016/s0960-894x(01)00356-0
BindingDB Entry DOI: 10.7270/Q2HM57QP
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane


Bioorg Med Chem 18: 2195-203 (2010)


Article DOI: 10.1016/j.bmc.2010.01.072
BindingDB Entry DOI: 10.7270/Q2BZ670J
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (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



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS-21,680 or [3H]ZM-241385 binding in adenosine A2A receptor of rat striatal membrane was determined


J Med Chem 44: 749-62 (2001)


Article DOI: 10.1021/jm0003945
BindingDB Entry DOI: 10.7270/Q2H132Q0
More data for this
Ligand-Target Pair
Human herpesvirus 6 DNA polymerase


(Human herpesvirus 6A (strain Uganda-1102) (HHV-6 v...)
BDBM50091997
PNG
(3-Hydroxy-7-methoxy-naphthalene-2-carboxylic acid ...)
Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClN2O3S/c1-27-16-7-4-13-10-19(25)17(9-14(13)8-16)20(26)24-21-23-18(11-28-21)12-2-5-15(22)6-3-12/h2-11,25H,1H3,(H,23,24,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase


Bioorg Med Chem Lett 10: 2079-81 (2000)


Article DOI: 10.1016/s0960-894x(00)00402-9
BindingDB Entry DOI: 10.7270/Q2222T0M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301530
PNG
(4-fluoro-N-methyl-N-(4-phenylthiazol-2-yl)benzamid...)
Show SMILES CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C17H13FN2OS/c1-20(16(21)13-7-9-14(18)10-8-13)17-19-15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 5464-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.097
BindingDB Entry DOI: 10.7270/Q2W66KTT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301522
PNG
(4-chloro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)...)
Show SMILES CN(C(=O)c1ccc(Cl)cc1)c1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C16H12ClN3OS/c1-20(15(21)12-2-4-13(17)5-3-12)16-19-14(10-22-16)11-6-8-18-9-7-11/h2-10H,1H3
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n/an/a 62n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 5464-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.097
BindingDB Entry DOI: 10.7270/Q2W66KTT
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50255300
PNG
(CHEMBL482012 | N-(4-Phenylthiazol-2-yl)isonicotina...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C15H11N3OS/c19-14(12-6-8-16-9-7-12)18-15-17-13(10-20-15)11-4-2-1-3-5-11/h1-10H,(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 753n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PARP1


J Med Chem 52: 718-25 (2009)


Article DOI: 10.1021/jm800902t
BindingDB Entry DOI: 10.7270/Q2C53KPW
More data for this
Ligand-Target Pair