BDBM77516 1-(4-chlorophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone::1-(4-chlorophenyl)-2-(7H-purin-6-ylthio)ethanone::MLS000104032::SMR000015851::cid_680874

SMILES CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)C(CCCNC(=O)c5ccc6c(Cl)cc(-c7cscn7)nc6c5)Cc5ccccc5)CC4)cnc3c2)CC1

InChI Key InChIKey=XNVNMMXIZHBCAD-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 1 hit for monomerid = 77516   

TargetUbiquitin carboxyl-terminal hydrolase 7(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 77516BDBM77516(US12503453, Compound Table3.13 | US12503453, Compo...)
Affinity DataIC50: 60nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2026
Entry Details
US Patent