BDBM50180111 3,5-dimethyl-4-hydroxy-5-((S)2-methylbutyl)-5H-thiophen-2-one::CHEMBL370787

SMILES: CC[C@H](C)CC1(C)SC(=O)C(C)C1=O

InChI Key: InChIKey=DGCWGCBTVBOIST-JYPKXMCJSA-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 = 50180111   

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
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM50180111 (3,5-dimethyl-4-hydroxy-5-((S)2-methylbutyl)-5H-thi...) Show SMILES CC[C@H](C)CC1(C)SC(=O)C(C)C1=O Show InChI InChI=1S/C11H18O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h7-8H,5-6H2,1-4H3/t7-,8?,11?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibitory activity against FabH from Escherichia coli ANSI				J Med Chem 49: 159-71 (2006) Article DOI: 10.1021/jm050825p BindingDB Entry DOI: 10.7270/Q2NG4RDB
					More data for this Ligand-Target Pair