BDBM77594 1-(4-bromophenyl)-3-[(3-hydroxy-2-naphthoyl)amino]urea::1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea::1-(4-bromophenyl)-3-[(3-oxidanylnaphthalen-2-yl)carbonylamino]urea::1-(4-bromophenyl)-3-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]urea::MLS001229866::SMR000679188::cid_24819542

SMILES O=C(C1CCN(CCCO)CC1)N1CCC2CC1c1cc(-c3ccc(OC(F)(F)F)cc3)ccc12

InChI Key InChIKey=WTUTUWBMBWABLS-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 = 77594   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 77594BDBM77594(US20250387403, Example Table1.10)
Affinity DataKi:  79.9nMAssay 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