BDBM50628817 CHEMBL5432974

SMILES CO[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-n1ccnc1

InChI Key InChIKey=QEJGXNPREYJPFV-UHFFFAOYSA-N

Data  1 IC50

  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 2 hits for monomerid = 50628817   

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50628817BDBM50628817(CHEMBL5432974 | US12514858, Example 63)
Affinity DataIC50: 12nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 50628817BDBM50628817(CHEMBL5432974 | US12514858, Example 63)
Affinity DataIC50: 22nMAssay Description:Inhibition of human CD38 using epslon-NAD as substrate and measured for 1 hrs by fluorescence based microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed