BDBM50636373 CHEMBL5557787

SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4cccnc4)CC3)cc2)n1

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 4 hits for monomerid = 50636373   

TargetNicotinamide phosphoribosyltransferase(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50636373(CHEMBL5557787)
Affinity DataIC50: 81nMAssay 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
LigandPNGBDBM50636373(CHEMBL5557787)
Affinity DataIC50: 289nMAssay 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
LigandPNGBDBM50636373(CHEMBL5557787)
Affinity DataIC50: 309nMAssay 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
LigandPNGBDBM50636373(CHEMBL5557787)
Affinity DataIC50: 1.11E+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