BDBM50447036 CHEMBL3116330

SMILES: [#6]-[#8]-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

InChI Key: InChIKey=WBFZQMDKMDPVKG-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447036   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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)	BDBM50447036 (CHEMBL3116330) Show SMILES [#6]-[#8]-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/C26H27ClN6O3S/c1-35-17-4-2-16(3-5-17)14-33-10-8-19-21(13-28)25(37-23(19)15-33)32-24(34)20-12-18(6-7-22(20)27)36-11-9-31-26(29)30/h2-7,12H,8-11,14-15H2,1H3,(H,32,34)(H4,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+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
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