BDBM50090631 3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1-(4-methoxy-phenyl)-1,5-dihydro-pyrrol-2-one::CHEMBL49606

SMILES: COc1ccc(cc1)N1CC(=C(C1=O)c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=BPEWTNBEERMQHK-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 = 50090631   

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))	BDBM50090631 (3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1...) Show SMILES COc1ccc(cc1)N1CC(=C(C1=O)c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C24H20FNO4S/c1-30-20-11-9-19(10-12-20)26-15-22(16-5-13-21(14-6-16)31(2,28)29)23(24(26)27)17-3-7-18(25)8-4-17/h3-14H,15H2,1-2H3	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Biochemical index for Prostaglandin G/H synthase 2 measured as, PGE-2 levels in lipopolysaccharide (LPS)-challenged human whole blood				Bioorg Med Chem Lett 10: 1745-8 (2000) BindingDB Entry DOI: 10.7270/Q2ZG6RH7
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50090631 (3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-1...) Show SMILES COc1ccc(cc1)N1CC(=C(C1=O)c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |c:11| Show InChI InChI=1S/C24H20FNO4S/c1-30-20-11-9-19(10-12-20)26-15-22(16-5-13-21(14-6-16)31(2,28)29)23(24(26)27)17-3-7-18(25)8-4-17/h3-14H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Barcelona Curated by ChEMBL					Assay Description Biochemical index for Prostaglandin G/H synthase 1 measured as, tromboxane 2 (TXB2) levels following blood coagulation				Bioorg Med Chem Lett 10: 1745-8 (2000) BindingDB Entry DOI: 10.7270/Q2ZG6RH7
					More data for this Ligand-Target Pair