Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM15653'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM15653 (N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3...) Show SMILES Clc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1 Show InChI InChI=1S/C17H21ClN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	6.8	23
University of California at San Francisco					Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ...				J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0
					More data for this Ligand-Target Pair				3D Structure (docked)