BDBM50451867 CHEMBL4212118

SMILES Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NCC1CCC(F)(F)CC1

InChI Key InChIKey=BOLBDXIXEYJTNL-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 = 50451867   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shanghai Haihe

Curated by ChEMBL
LigandPNGBDBM50451867(CHEMBL4212118)
Affinity DataIC50: 15nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shanghai Haihe

Curated by ChEMBL
LigandPNGBDBM50451867(CHEMBL4212118)
Affinity DataIC50: 80nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate after 60 mins by resazurin dye based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed