BDBM50032894 CHEMBL3342781

SMILES C[C@H](Nc1nc(C)cc(n1)N1[C@H](COC1=O)C1CC1)c1cn(cn1)-c1ccc(Cl)cc1

InChI Key InChIKey=ZZVOXOXVAUNOJV-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 = 50032894   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50032894(CHEMBL3342781)
Affinity DataIC50: 17nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) using a-ketoglutarate as substrate by fluorescence biochemical assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Therachem Research Medilab (India)

Curated by ChEMBL
LigandPNGBDBM50032894(CHEMBL3342781)
Affinity DataIC50: 8.5nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as inhibition of [3C]2-hydroxyglutarate formation after 45 mins by LC-MS biochemical assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed