BDBM50508268 CHEMBL4544382

SMILES CCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12

InChI Key InChIKey=XCEYIDNSVBTGAG-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508268   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Zhejiang University

Curated by ChEMBL
LigandPNGBDBM50508268(CHEMBL4544382)
Affinity DataIC50: 230nMAssay Description:Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed