BDBM50305811 3-(4-hydroxyphenyl)-4-(4-(methylthio)phenyl)-1H-pyrrole-2,5-dione::CHEMBL595153

SMILES: CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(O)cc1

InChI Key: InChIKey=CQADCPOYZDVTID-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50305811   

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))	BDBM50305811 (3-(4-hydroxyphenyl)-4-(4-(methylthio)phenyl)-1H-py...) Show SMILES CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(O)cc1 |t:9| Show InChI InChI=1S/C17H13NO3S/c1-22-13-8-4-11(5-9-13)15-14(16(20)18-17(15)21)10-2-6-12(19)7-3-10/h2-9,19H,1H3,(H,18,20,21)	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	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of COX2 assessed as PGF2alpha level by EIA				Bioorg Med Chem Lett 20: 734-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.067 BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
					More data for this Ligand-Target Pair