BDBM50279410 CHEMBL4166795

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(c(C)n2)-c2ccnc(c2)C(F)(F)F)n1

InChI Key InChIKey=KADCESULLLZFQS-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 = 50279410   

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

Curated by ChEMBL
LigandPNGBDBM50279410(CHEMBL4166795)
Affinity DataIC50: 13nMAssay 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
LigandPNGBDBM50279410(CHEMBL4166795)
Affinity DataIC50: 15nMAssay 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