BDBM50246527 2-(butylthio)-9-(4-nitrobenzyl)-9H-purin-6-amine::CHEMBL516506

SMILES CCCCSc1nc(N)c2ncn(Cc3ccc(cc3)[N+]([O-])=O)c2n1

InChI Key InChIKey=QPMLCPHMKIWDIJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246527   

TargetGlutamate racemase(Enterococcus faecalis)
Astrazeneca R&D Boston

Curated by ChEMBL
LigandPNGBDBM50246527(2-(butylthio)-9-(4-nitrobenzyl)-9H-purin-6-amine |...)
Affinity DataIC50:  7.00E+3nMpH: 8.0Assay Description:Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed