BDBM77558 1-(1H-benzimidazol-2-ylmethyl)-3-(4-ethoxyphenyl)thiourea::1-(1H-benzimidazol-2-ylmethyl)-3-p-phenetyl-thiourea::MLS000771736::SMR000376452::cid_2108350

SMILES C[C@]12CC[C@H](CCC3CCNC3)CC1[C@@H](CO)C(=O)C1C2CC[C@]2(C)C(=O)CCC12

InChI Key InChIKey=ZUFCRMLDMSFDRM-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 = 77558   

TargetSodium/potassium-transporting ATPase subunit alpha-1(Dog)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 77558BDBM77558((3S,6S,10R,13S)-6-(hydroxymethyl)-10,13-dimethyl-3...)
Affinity DataIC50: 3.40E+3nMAssay 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