BDBM50131578 1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole-2-carbonitrile::CHEMBL117146

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cnc(C#N)n1-c1ccc(F)cc1

InChI Key: InChIKey=KOSHEAOLMYRNOG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50131578   

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 (Homo sapiens (Human))	BDBM50131578 (1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(C#N)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12FN3O2S/c1-24(22,23)15-8-2-12(3-9-15)16-11-20-17(10-19)21(16)14-6-4-13(18)5-7-14/h2-9,11H,1H3	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Domp&egrove; pha.r.ma s.p.a. Curated by ChEMBL					Assay Description In vitro percent inhibition of Prostaglandin G/H synthase 2 (COX-2) in human whole blood was determined				J Med Chem 46: 3463-75 (2003) Article DOI: 10.1021/jm030765s BindingDB Entry DOI: 10.7270/Q2HQ3Z98
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50131578 (1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(C#N)n1-c1ccc(F)cc1 Show InChI InChI=1S/C17H12FN3O2S/c1-24(22,23)15-8-2-12(3-9-15)16-11-20-17(10-19)21(16)14-6-4-13(18)5-7-14/h2-9,11H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Domp&egrove; pha.r.ma s.p.a. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) in U-937 cells				J Med Chem 46: 3463-75 (2003) Article DOI: 10.1021/jm030765s BindingDB Entry DOI: 10.7270/Q2HQ3Z98
					More data for this Ligand-Target Pair