BDBM50503257 CHEMBL4463644

SMILES [H][C@@]1(COC(=O)N1c1nc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)nc2[nH]ccc12)[C@H](C)F

InChI Key InChIKey=JZZYEUNYLVHGAO-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 = 50503257   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503257(CHEMBL4463644)
Affinity DataIC50: 2nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using alpha-KG as substrate after 90 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503257(CHEMBL4463644)
Affinity DataIC50: 6nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin) using alpha-KG as substrate after 90 mins in presence of NADPH by RF/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed