BDBM77539 1-(2-chlorobenzyl)-3-(3-chloro-2-methyl-phenyl)thiourea::1-(3-chloranyl-2-methyl-phenyl)-3-[(2-chlorophenyl)methyl]thiourea::1-(3-chloro-2-methylphenyl)-3-[(2-chlorophenyl)methyl]thiourea::MLS000665499::N-(2-chlorobenzyl)-N'-(3-chloro-2-methylphenyl)thiourea::SMR000270734::cid_799293

SMILES C[C@]12CC[C@H](CCC3CCNCC3)CC1[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChI Key InChIKey=JWEFANVNEHLLDH-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77539   

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 77539BDBM77539(3beta-[2-(piperidin-4-yl)ethyl]-6alpha-hydroxyandr...)
Affinity DataIC50: 3.50E+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