Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylenolpyruvoylglucosamine reductase' and Ligand = 'BDBM50195583'   

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))	BDBM50195583 (1,2-bis(4-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydr...) Show SMILES Oc1c(C(=O)c2ccccc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H13Cl3N2O3/c23-13-5-9-15(10-6-13)26-21(29)19(20(28)17-3-1-2-4-18(17)25)22(30)27(26)16-11-7-14(24)8-12-16/h1-12,29H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Curated by ChEMBL					Assay Description Inhibition of MurB activity				J Med Chem 49: 6027-36 (2006) Article DOI: 10.1021/jm060499t BindingDB Entry DOI: 10.7270/Q22V2FRV
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