BDBM77515 2-{[(3-phenyl-5-isoxazolyl)methyl]thio}-1H-benzimidazole::5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-phenyl-1,2-oxazole::5-[(1H-benzimidazol-2-ylthio)methyl]-3-phenyl-isoxazole::5-[(1H-benzimidazol-2-ylthio)methyl]-3-phenylisoxazole::MLS000052813::SMR000082245::cid_1836620

SMILES CN1CCN(CCC(=O)Nc2ccc3c(=O)n(CC4(O)CCN(C(=O)C(CCCNC(=O)c5ccc6c(Cl)cc(C7CCCCC7)nc6c5)Cc5ccccc5)CC4)cnc3c2)CC1

InChI Key InChIKey=YFVACNYYMMQUIV-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77515   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 77515BDBM77515(US12503453, Compound Table3.12 | 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