BDBM50057962 4-[2-(3-Chloro-4-methylsulfanyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide::CHEMBL42674

SMILES: CSc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=UATKBDIWWOKIJQ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50057962   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50057962 (4-[2-(3-Chloro-4-methylsulfanyl-phenyl)-4-trifluor...) Show SMILES CSc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-27-14-7-2-10(8-13(14)18)16-23-15(17(19,20)21)9-24(16)11-3-5-12(6-4-11)28(22,25)26/h2-9H,1H3,(H2,22,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50057962 (4-[2-(3-Chloro-4-methylsulfanyl-phenyl)-4-trifluor...) Show SMILES CSc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-27-14-7-2-10(8-13(14)18)16-23-15(17(19,20)21)9-24(16)11-3-5-12(6-4-11)28(22,25)26/h2-9H,1H3,(H2,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2SX6FFJ
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057962 (4-[2-(3-Chloro-4-methylsulfanyl-phenyl)-4-trifluor...) Show SMILES CSc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-27-14-7-2-10(8-13(14)18)16-23-15(17(19,20)21)9-24(16)11-3-5-12(6-4-11)28(22,25)26/h2-9H,1H3,(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2736S4D
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057962 (4-[2-(3-Chloro-4-methylsulfanyl-phenyl)-4-trifluor...) Show SMILES CSc1ccc(cc1Cl)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H13ClF3N3O2S2/c1-27-14-7-2-10(8-13(14)18)16-23-15(17(19,20)21)9-24(16)11-3-5-12(6-4-11)28(22,25)26/h2-9H,1H3,(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/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