BDBM72311 2-[(4-chlorobenzoyl)amino]acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester::2-[[(4-chlorophenyl)-oxomethyl]amino]acetic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester::MLS000391042::SMR000260079::[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]ethanoate::[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate::cid_2435045

SMILES O=C1c2cc(F)c(C(F)(F)F)cc2N2CN1c1ccc(=O)[nH]c1NCCCc1cc(F)ccc12

InChI Key InChIKey=PIWYCUMSWNQTQW-UHFFFAOYSA-N

Data  1 EC50

  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 = 72311   

TargetSodium channel protein type 10 subunit alpha(Human)
Glaxosmithkline Intellectual Property Development

US Patent
LigandChemical structure of BindingDB Monomer ID 72311BDBM72311(2,8-Difluoro-3-(trifluoromethyl)-10,11,12,13-tetra...)
Affinity DataIC50: 3.98nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/16/2026
Entry Details
US Patent