BDBM50451856 CHEMBL4207520

SMILES Fc1cccc(c1)N(C(=O)[C@@H]1COC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1

InChI Key InChIKey=LXXKKNROBAICHG-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 = 50451856   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Shanghai Haihe

Curated by ChEMBL
LigandPNGBDBM50451856(CHEMBL4207520)
Affinity DataIC50: 19nMAssay 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
LigandPNGBDBM50451856(CHEMBL4207520)
Affinity DataIC50: 58nMAssay 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