Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 3' and Ligand = 'BDBM50481240'   

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
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50481240 (CHEMBL594110) Show SMILES Oc1ccccc1C(=O)NCCCCCC\N=C\c1cc(Br)cc(Br)c1O Show InChI InChI=1S/C20H22Br2N2O3/c21-15-11-14(19(26)17(22)12-15)13-23-9-5-1-2-6-10-24-20(27)16-7-3-4-8-18(16)25/h3-4,7-8,11-13,25-26H,1-2,5-6,9-10H2,(H,24,27)/b23-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
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