BDBM50134351 4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thiophen-2-one::CHEMBL332364

SMILES: CC1C(=O)SC(C)(Cc2cccc(Oc3ccccc3)c2)C1=O

InChI Key: InChIKey=NVAFOHJQQOQWCN-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 = 50134351   

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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Mycobacterium tuberculosis)	BDBM50134351 (4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thi...) Show SMILES CC1C(=O)SC(C)(Cc2cccc(Oc3ccccc3)c2)C1=O Show InChI InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Birmingham Curated by ChEMBL					Assay Description In vitro inhibitory activity against the recombinant Mycobacterium tuberculosis Beta-ketoacyl-ACP synthase III mtFabH condensing enzyme.				Bioorg Med Chem Lett 13: 3685-8 (2003) BindingDB Entry DOI: 10.7270/Q20864R5
					More data for this Ligand-Target Pair