Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylenolpyruvoylglucosamine reductase' and Ligand = 'BDBM50475595'   

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))	BDBM50475595 (CHEMBL199757) Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(cc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H15F3O3/c25-24(26,27)19-8-4-5-15(13-19)14-20-22(28)21(23(29)30-20)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14,28H/b20-14-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against MurB in Escherichia coli				Bioorg Med Chem Lett 16: 176-80 (2006) Article DOI: 10.1016/j.bmcl.2005.09.021 BindingDB Entry DOI: 10.7270/Q25M68G7
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