BDBM50629886 CHEMBL5436549

SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Nc3ccc(NS(=O)(=O)C=C)c(c3)N(C)C)cc2)ncc1F

InChI Key InChIKey=PEMAQIOMBHRWQK-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 = 50629886   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629886(CHEMBL5436549)
Affinity DataIC50: 48nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50629886(CHEMBL5436549)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in HEK293T cells assessed as inhibition of 2-HG generation measured after 48 hrs by LC-MS/...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMed