BDBM50057546 4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide::CHEMBL418574

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F

InChI Key: InChIKey=IEZXKXSCRRMNQK-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50057546   

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))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)				J Med Chem 40: 1347-65 (1997) Article DOI: 10.1021/jm960803q BindingDB Entry DOI: 10.7270/Q2Z89BHB
					More data for this Ligand-Target Pair
Cyclooxygenase-2 (COX-2) (Mus musculus (Mouse))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	57.5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	57.5	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
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against prostaglandin G/H synthase 1 (COX-1)				J Med Chem 45: 4816-27 (2002) BindingDB Entry DOI: 10.7270/Q2XP764T
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50057546 (4-[5-(2-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1F)C(F)(F)F Show InChI InChI=1S/C16H11F4N3O2S/c17-13-4-2-1-3-12(13)14-9-15(16(18,19)20)22-23(14)10-5-7-11(8-6-10)26(21,24)25/h1-9H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibitory concentration against human prostaglandin G/H synthase 2 at 25 degrees.				Bioorg Med Chem Lett 12: 267-70 (2002) BindingDB Entry DOI: 10.7270/Q2Q23ZJQ
					More data for this Ligand-Target Pair