BDBM50636389 CHEMBL5562174

SMILES C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccc(-c2ccc(NC(=O)COc3cccnc3)cc2)cc1

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50636389   

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

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 34nMAssay 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
TargetNicotinamide phosphoribosyltransferase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 49nMAssay 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
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 65nMAssay 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
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 8.95E+3nMAssay 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
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wildtype IDH2 (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate reader...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], mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of IDH2 R172K mutant (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate re...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], mitochondrial(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636389(CHEMBL5562174)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of IDH2 R140Q mutant (unknown origin) using alpha-ketoglutarate as substrate incubated in presence of NADPH by Envision multimode plate re...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed