Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH]' and Ligand = 'BDBM25781'   

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...)	BDBM25781 (1-[(4-tert-butylphenyl)carbonyl]-4-(3-chlorophenyl...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H25ClN2O/c1-21(2,3)17-9-7-16(8-10-17)20(25)24-13-11-23(12-14-24)19-6-4-5-18(22)15-19/h4-10,15H,11-14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	6.8	23
Incyte Corporation					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 ...				Bioorg Med Chem 15: 6649-58 (2007) Article DOI: 10.1016/j.bmc.2007.08.013 BindingDB Entry DOI: 10.7270/Q24M92VH
					More data for this Ligand-Target Pair				3D Structure (docked)