BDBM50134352 4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-4-carbaldehyde::CHEMBL123181

SMILES: CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O

InChI Key: InChIKey=JAVMDZBXQKOBNG-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 = 50134352   

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)	BDBM50134352 (4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiop...) Show SMILES CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O Show InChI InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12-13H,11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+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