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 = 'BDBM50447035'   

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)	BDBM50447035 (CHEMBL3116331) Show SMILES [#6]-[#8]-[#6](=O)-c1ccc(-[#6]-[#7]-2-[#6]-[#6]-c3c(-[#6]-2)sc(-[#7]-[#6](=O)-c2cc(-[#8]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])ccc2Cl)c3C#N)cc1 Show InChI InChI=1S/C27H27ClN6O4S/c1-37-26(36)17-4-2-16(3-5-17)14-34-10-8-19-21(13-29)25(39-23(19)15-34)33-24(35)20-12-18(6-7-22(20)28)38-11-9-32-27(30)31/h2-7,12H,8-11,14-15H2,1H3,(H,33,35)(H4,30,31,32)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	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