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BDBM50057915 2-(2-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole::CHEMBL43645

SMILES: CS(=O)(=O)c1ccc(cc1)-n1cc(nc1-c1ccccc1F)C(F)(F)F

InChI Key: InChIKey=YWHWGDCPWAFBRB-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50057915   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50057915
PNG
(2-(2-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)12-8-6-11(7-9-12)23-10-15(17(19,20)21)22-16(23)13-4-2-3-5-14(13)18/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50%


J Med Chem 40: 1634-47 (1997)


Article DOI: 10.1021/jm9700225
BindingDB Entry DOI: 10.7270/Q2F76BN0
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057915
PNG
(2-(2-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)12-8-6-11(7-9-12)23-10-15(17(19,20)21)22-16(23)13-4-2-3-5-14(13)18/h2-10H,1H3
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n/an/a 398n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4847-57 (2002)


Article DOI: 10.1021/jm020198t
BindingDB Entry DOI: 10.7270/Q2SX6FFJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057915
PNG
(2-(2-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)12-8-6-11(7-9-12)23-10-15(17(19,20)21)22-16(23)13-4-2-3-5-14(13)18/h2-10H,1H3
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PubMed
n/an/a 398n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


Article DOI: 10.1021/jm0101343
BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057915
PNG
(2-(2-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nc1-c1ccccc1F)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)12-8-6-11(7-9-12)23-10-15(17(19,20)21)22-16(23)13-4-2-3-5-14(13)18/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit human Prostaglandin G/H synthase 2 (COX-2) by 50%


J Med Chem 40: 1634-47 (1997)


Article DOI: 10.1021/jm9700225
BindingDB Entry DOI: 10.7270/Q2F76BN0
More data for this
Ligand-Target Pair