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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidoglycan D,D-transpeptidase MrdA' and Ligand = 'BDBM50512949'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peptidoglycan D,D-transpeptidase MrdA


(Escherichia coli)		BDBM50512949
PNG
(CHEMBL4470489)
Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2-c2cnoc2)-[#6]-1=O |c:10|
Show InChI InChI=1S/C9H9N3O6S.Na/c13-9-11-2-1-7(6-3-10-17-5-6)8(4-11)12(9)18-19(14,15)16;/h1,3,5,8H,2,4H2,(H,14,15,16);/q;+1/p-1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/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