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 = 'BDBM8785'   

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 (Escherichia coli)	BDBM8785 (1,2,3,4-tetrahydro pyrido[3,4-b]indole 29 | 4-({2-...) Show SMILES COc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21 Show InChI InChI=1S/C26H24N2O3/c1-31-21-12-8-19(9-13-21)26(30)27-15-14-23-22-4-2-3-5-24(22)28(25(23)17-27)16-18-6-10-20(29)11-7-18/h2-13,29H,14-17H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.55E+4	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...				Bioorg Med Chem Lett 11: 2241-4 (2001) Article DOI: 10.1016/s0960-894x(01)00405-x BindingDB Entry DOI: 10.7270/Q24X5610
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