BDBM50580352 CHEMBL5091229::US12514858, Example 16

SMILES COCCO[C@H]1CC[C@@H](CC1)NC(=O)c1cc(cc(n1)-n1ccnc1)-n1ccnc1

InChI Key InChIKey=GKMLTGCXDKZHFH-UHFFFAOYSA-N

Data  2 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 = 50580352   

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
Astellas Engineered Small Molecules US

US Patent
LigandChemical structure of BindingDB Monomer ID 50580352BDBM50580352(CHEMBL5091229 | US12514858, Example 16)
Affinity DataIC50: 6.80nMAssay 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)
Astellas Engineered Small Molecules US

US Patent
LigandChemical structure of BindingDB Monomer ID 50580352BDBM50580352(CHEMBL5091229 | US12514858, Example 16)
Affinity DataIC50: 6.80nMAssay Description:Inhibition of His-tagged human CD38 using etheno-NAD as substrate preincubated for 30 mins followed by substrate addition and further incubated for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed