BDBM50636382 CHEMBL5557008

SMILES C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ccc(-c2ccc(NC(=O)/C=C/c3cccnc3)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 = 50636382   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636382(CHEMBL5557008)
Affinity DataIC50: 78nMAssay Description:Inhibition of recombinant IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636382(CHEMBL5557008)
Affinity DataIC50: 147nMAssay Description:Inhibition of recombinant IDH1 R132C mutant (unknown origin) using alpha-ketoglutarate as substrate incubated for 60 mins in presence of NADPH by flu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNicotinamide phosphoribosyltransferase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636382(CHEMBL5557008)
Affinity DataIC50: 221nMAssay Description:Inhibition of NAMPT (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636382(CHEMBL5557008)
Affinity DataIC50: 3.65E+4nMAssay Description:Inhibition of wildtype IDH1 (unknown origin) using DL-isocitrate as substrate incubated for 60 mins in presence of NADP by fluorescence microplate re...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed