Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylenolpyruvoylglucosamine reductase' and Ligand = 'BDBM50195580'   

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))	BDBM50195580 (5-hydroxy-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazo...) Show SMILES Oc1c(C(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1-c1ccccc1 Show InChI InChI=1S/C22H16ClN3O3/c23-15-11-13-16(14-12-15)24-20(27)19-21(28)25(17-7-3-1-4-8-17)26(22(19)29)18-9-5-2-6-10-18/h1-14,28H,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+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
					More data for this Ligand-Target Pair