BDBM83749 2-[(E)-2-(3-methyl-2-thienyl)vinyl]quinolin-8-ol::2-[(E)-2-(3-methyl-2-thiophenyl)ethenyl]-8-quinolinol::2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinolin-8-ol::2-[2-(3-methyl-2-thienyl)vinyl]-8-quinolinol::MLS000530644::SMR000135622::cid_5730206

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5CCN(C(=O)C6CCOCC6)CC5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=DDSOYQBTCXEPSQ-UHFFFAOYSA-N

Data  1 EC50

  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 = 83749   

TargetPoly(ADP-ribose) glycohydrolase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83749BDBM83749(N-(1-Cyanocyclopropyl)-9-(5- (difluoromethyl)-1,3,...)
Affinity DataIC50: 0.000100nMAssay 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