Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidoglycan D,D-transpeptidase MrdA' and Ligand = 'BDBM50512953'   

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
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50512953 (CHEMBL4515223) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2)-[#6]-1=O |c:10| Show InChI InChI=1S/C6H8N2O5S.Na/c9-6-7-3-1-2-5(4-7)8(6)13-14(10,11)12;/h1-2,5H,3-4H2,(H,10,11,12);/q;+1/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...				J Med Chem 62: 4742-4754 (2019) Article DOI: 10.1021/acs.jmedchem.9b00338 BindingDB Entry DOI: 10.7270/Q2CZ3BG7
					More data for this Ligand-Target Pair