BDBM50279426 CHEMBL4164212

SMILES C[C@H](Nc1nccc(n1)N1[C@@H](C)COC1=O)c1cc(C)c(cn1)-c1ccnc(c1)C(F)(F)F

InChI Key InChIKey=STBYUFXCJRAGIR-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 = 50279426   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279426BDBM50279426(CHEMBL4164212)
Affinity DataIC50: 116nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Saint Petersburg State University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50279426BDBM50279426(CHEMBL4164212)
Affinity DataIC50: 258nMAssay 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