Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylenolpyruvoylglucosamine reductase' and Ligand = 'BDBM50166487'   

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
UDP-N-acetylenolpyruvoylglucosamine reductase (Escherichia coli K-12 (Enterobacteria))	BDBM50166487 (1,2-Bis-(4-chloro-phenyl)-4-(3-trifluoromethyl-ben...) Show SMILES Oc1c(Cc2cccc(c2)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H15Cl2F3N2O2/c24-16-4-8-18(9-5-16)29-21(31)20(13-14-2-1-3-15(12-14)23(26,27)28)22(32)30(29)19-10-6-17(25)7-11-19/h1-12,31H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MurB enzyme in Escherichia coli				Bioorg Med Chem Lett 15: 2527-31 (2005) Article DOI: 10.1016/j.bmcl.2005.03.058 BindingDB Entry DOI: 10.7270/Q2BG2NHW
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