BDBM50650719 CHEMBL5633996

SMILES COc1c(C)cc(NC(=O)c2nn(Cc3ccc(F)cc3)c3c2CN(C(=O)c2ccc[nH]2)C[C@@H]3C(N)=O)cc1C

InChI Key

  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 = 50650719   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650719(CHEMBL5633996)
Affinity DataIC50: 8.80nMAssay Description:Inhibition of human N-terminal 6His-tagged IDH1 R132C mutant expressed in Escherichia coli Rosetta2 (DE3) in presence of alpha-ketoglutarate and NADP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650719(CHEMBL5633996)
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coli BL21 (DE3) cells in presence of alpha-ketoglutarate and NADPH by fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650719(CHEMBL5633996)
Affinity DataIC50: 17nMAssay Description:Inhibition of wildtype human recombinant IDH1 R132H mutant heterodimer in presence of alpha-ketoglutarate and NADPH by fluorescence based biochemical...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650719(CHEMBL5633996)
Affinity DataIC50: 467nMAssay Description:Inhibition of N-terminal His-tagged wild type IDH1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed