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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate racemase' and Ligand = 'BDBM50256683'   
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
Glutamate racemase


(Helicobacter pylori J99)
BDBM50256683
PNG
(3,5-di(furan-2-yl)-N-methyl-3H-pyrido[2,3-e][1,4]d...)
Show SMILES CNC1=Nc2ncccc2C(=NC1c1ccco1)c1ccco1 |c:11,t:2|
Show InChI InChI=1S/C17H14N4O2/c1-18-17-15(13-7-4-10-23-13)20-14(12-6-3-9-22-12)11-5-2-8-19-16(11)21-17/h2-10,15H,1H3,(H,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MurI in wild type Helicobacter pylori J99


Bioorg Med Chem Lett 19: 930-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.113
BindingDB Entry DOI: 10.7270/Q2J38SDJ
More data for this
Ligand-Target Pair