BDBM79903 1-(phenylmethyl)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;hydrochloride::1-benzyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine;hydrochloride::MLS001179386::SMR000475910::cid_23723175

SMILES Cc1[nH]c(/C=C2C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1C(=O)NCC1CCCO1

InChI Key InChIKey=DWOMXKJFILUXON-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 = 79903   

TargetG protein-coupled receptor kinase 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79903BDBM79903(US20250388567, Compound 35)
Affinity DataIC50: 100nMAssay 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:
5/6/2026
Entry Details
US Patent

TargetBeta-adrenergic receptor kinase 1(Bovine)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79903BDBM79903(US20250388567, Compound 35)
Affinity DataIC50: 1.00E+4nMAssay 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:
5/6/2026
Entry Details
US Patent