BDBM50279399 CHEMBL4165726

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(cn2)-c2ccnc(C)c2)n1

InChI Key InChIKey=ZDFYNSKUMBIVJP-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50279399   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279399BDBM50279399(CHEMBL4165726)
Affinity DataIC50: 145nMAssay Description:Inhibition of IDH1 R132H mutant in human HCT116 cells assessed as reduction in 2-HG level after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279399BDBM50279399(CHEMBL4165726)
Affinity DataIC50: 339nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2020
Entry Details Article
PubMed