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 = 'BDBM50481237'   

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)	BDBM50481237 (CHEMBL594093) Show SMILES Oc1ccccc1C(=O)NCCC\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C21H20N2O3/c24-19-9-4-3-8-17(19)21(26)23-13-5-12-22-14-18-16-7-2-1-6-15(16)10-11-20(18)25/h1-4,6-11,14,24-25H,5,12-13H2,(H,23,26)/b22-14+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.61E+3	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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