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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D-alanine--D-alanine ligase' and Ligand = 'BDBM50520687'   
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
D-alanine--D-alanine ligase


(Enterococcus faecalis (strain ATCC 700802 / V583))		BDBM50520687
PNG
(CHEMBL4445254)
Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClN3O2S/c15-9-4-3-5-10(8-9)16-14(21)18-17-13(20)11-6-1-2-7-12(11)19/h1-8,19H,(H,17,20)(H2,16,18,21)
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 630n/an/an/an/an/an/a



Universit£ Catholique de Louvain (UCLouvain)

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis JH2-2 C-terminal 6His-tagged DdlB expressed in Escherichia coli LMG194 preincubated for 30 mins followed by subst...

Eur J Med Chem 159: 324-338 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.067
BindingDB Entry DOI: 10.7270/Q2VM4GND
More data for this
Ligand-Target Pair