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 = 'BDBM50276578'   

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)	BDBM50276578 (3-(1-(2-(4-methylthiazol-2-yl)hydrazono)ethyl)phen...) Show SMILES CC(N=Nc1nc(C)cs1)c1cccc(O)c1 |w:2.1| Show InChI InChI=1S/C12H13N3OS/c1-8-7-17-12(13-8)15-14-9(2)10-4-3-5-11(16)6-10/h3-7,9,16H,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Binding affinity to Escherichia coli K12 KAS 3 expressed in Escherichia coli BL21 by fluorescence quenching analysis				Bioorg Med Chem 17: 1506-13 (2009) Article DOI: 10.1016/j.bmc.2009.01.004 BindingDB Entry DOI: 10.7270/Q2XS5V8R
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