Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase' and Ligand = 'BDBM50447055'   

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-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae)	BDBM50447055 (CHEMBL3112590) Show SMILES Clc1cnn(COc2cccc(c2)C(=O)Nc2sc3CCCc3c2C#N)c1 Show InChI InChI=1S/C19H15ClN4O2S/c20-13-9-22-24(10-13)11-26-14-4-1-3-12(7-14)18(25)23-19-16(8-21)15-5-2-6-17(15)27-19/h1,3-4,7,9-10H,2,5-6,11H2,(H,23,25)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae MurF ligase using D-Ala-D-Ala as substrate after 15 mins by malachite green assay				Eur J Med Chem 73: 83-96 (2014) Article DOI: 10.1016/j.ejmech.2013.11.031 BindingDB Entry DOI: 10.7270/Q20K2B1T
					More data for this Ligand-Target Pair