BDBM77582 2-methyl-N-[(3-nitrophenyl)-(8-oxidanylquinolin-7-yl)methyl]propanamide::MLS001204098::N-[(8-Hydroxy-quinolin-7-yl)-(3-nitro-phenyl)-methyl]-isobutyramide::N-[(8-hydroxy-7-quinolinyl)-(3-nitrophenyl)methyl]-2-methylpropanamide::N-[(8-hydroxy-7-quinolyl)-(3-nitrophenyl)methyl]-2-methyl-propionamide::N-[(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]-2-methylpropanamide::SMR000516571::cid_3129253

SMILES O=C(C1CCNCC1)N1CC[C@H]2CC1c1cc(-c3cccc(OC(F)(F)F)c3)ccc12

InChI Key InChIKey=VKNRECYYHACCGX-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77582   

TargetSigma intracellular receptor 2(Human)
University of Texas System

US Patent
LigandChemical structure of BindingDB Monomer ID 77582BDBM77582(US20250387403, Example Table1.2)
Affinity DataKi:  37.1nMAssay 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