BDBM233074 mtFabH inhibitor, 5

SMILES: COC(=O)c1ccc(CC#CC2(C)SC(=O)C(C)=C2O)cc1

InChI Key: InChIKey=NJDGQWFIPLYFHS-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 = 233074   

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)	BDBM233074 (mtFabH inhibitor, 5) Show SMILES COC(=O)c1ccc(CC#CC2(C)SC(=O)C(C)=C2O)cc1 |c:17| Show InChI InChI=1S/C17H16O4S/c1-11-14(18)17(2,22-16(11)20)10-4-5-12-6-8-13(9-7-12)15(19)21-3/h6-9,18H,5H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+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