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 = 'BDBM50482065'   

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)	BDBM50482065 (CHEMBL1091660) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1cc(Cl)cc(Cl)c1O Show InChI InChI=1S/C18H18Cl2N2O3/c1-10-3-4-14(16(23)5-10)18(25)22-8-11(2)21-9-12-6-13(19)7-15(20)17(12)24/h3-7,9,11,23-24H,8H2,1-2H3,(H,22,25)/b21-9+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
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