BDBM50458777 CHEMBL4216983

SMILES C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=ULTZLMKTFYRMFK-WFASDCNBSA-N

Data  4 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 4 hits for monomerid = 50458777   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50458777(CHEMBL4216983)
Affinity DataIC50:  2.52E+3nMAssay Description:Inhibition of wild-type IDH1 (unknown origin) assessed as NADPH production using isocitrate as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50458777(CHEMBL4216983)
Affinity DataIC50:  21nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50458777(CHEMBL4216983)
Affinity DataIC50:  45nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) assessed as NADPH consumption using alpha-ketoglutarate as substrate by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50458777(CHEMBL4216983)
Affinity DataIC50:  39nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) expressed in HCT116 cells assessed as reduction in 2-HG levels after 48 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed