BDBM233058 mtFabH inhibitor, 8

SMILES: CC1=C(O)C(C)(SC1=O)C#Cc1ccccc1C#N

InChI Key: InChIKey=MZLGLPSNNKKYEJ-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 = 233058   

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
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) (Mycobacterium tuberculosis)	BDBM233058 (mtFabH inhibitor, 8) Show SMILES CC1=C(O)C(C)(SC1=O)C#Cc1ccccc1C#N |c:1| Show InChI InChI=1S/C15H11NO2S/c1-10-13(17)15(2,19-14(10)18)8-7-11-5-3-4-6-12(11)9-16/h3-6,17H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...				J Enzyme Inhib Med Chem 25: 240-9 (2010) Article DOI: 10.3109/14756360903049059 BindingDB Entry DOI: 10.7270/Q22R3QJT
					More data for this Ligand-Target Pair