BDBM50279398 CHEMBL4173642

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc(cn2)-c2ccc(F)c(C)c2)n1

InChI Key InChIKey=LZBKNQUXDJOQAL-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 = 50279398   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279398BDBM50279398(CHEMBL4173642)
Affinity DataIC50: 47nMAssay 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 50279398BDBM50279398(CHEMBL4173642)
Affinity DataIC50: 62nMAssay 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