Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Enoyl-[acyl-carrier-protein] reductase [NADH] FabI' and Ligand = 'BDBM8713'   

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] FabI (Haemophilus influenzae)	BDBM8713 ((2R)-2-[(Carbomethoxy)methyl]-N,4-dimethyl-N-(1-me...) Show SMILES COC(=O)C[C@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C |r| Show InChI InChI=1S/C25H28N4O4/c1-27-14-18-11-17(9-10-20(18)26-21(25(27)32)13-23(30)33-4)24(31)28(2)15-19-12-16-7-5-6-8-22(16)29(19)3/h5-12,21,26H,13-15H2,1-4H3/t21-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	30
GlaxoSmithKline					Assay Description Assays were carried out in half-area, 96-well microtiter plates. Compounds were evaluated in assay mixtures containing components specific for each e...				J Med Chem 45: 3246-56 (2002) Article DOI: 10.1021/jm020050+ BindingDB Entry DOI: 10.7270/Q2J38QQR
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