BDBM50465390 CHEMBL4293065

SMILES COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1Cl)c1cccc(F)c1

InChI Key InChIKey=UZZNXVHZUFXIKA-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 = 50465390   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465390(CHEMBL4293065)
Affinity DataIC50: 230nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in conversion of alpha-KG to D2-HG after 60 mins in presence of NADPH by diaph...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Agios Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50465390(CHEMBL4293065)
Affinity DataIC50: 605nMAssay Description:Inhibition of IDH1 R132C mutant in human HT1080 cells assessed as reduction in 2-hydroxyglutarate production by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed