BDBM50650716 CHEMBL5631386

SMILES C=CC(=O)N1CCN(Cc2ccc([C@H](C)Nc3ncc4c(n3)N(C(C)C)C(=O)OC4)cc2)CC1

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 = 50650716   

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

Curated by ChEMBL
LigandPNGBDBM50650716(CHEMBL5631386)
Affinity DataIC50: 27nMAssay Description:Inhibition of IDH1 R132C mutant (unknown origin) expressed in Escherichia coli BL21 (DE3) cellsMore 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
LigandPNGBDBM50650716(CHEMBL5631386)
Affinity DataIC50: 29nMAssay Description:Inhibition of human recombinant IDH1 R132H mutant expressed in Escherichia coliMore 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
LigandPNGBDBM50650716(CHEMBL5631386)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of wild type IDH1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...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], mitochondrial(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50650716(CHEMBL5631386)
Affinity DataIC50: 1.07E+4nMAssay Description:Inhibition of wild type IDH2 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as NADPH consumption using alpha-KG as substrate meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed