BDBM83747 1-Amino-5-ethyl-6,7,8,9-tetrahydro-thieno[2,3-c]isoquinoline-2-carbonitrile::1-amino-5-ethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carbonitrile::1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile::1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carbonitrile::MLS000525643::SMR000116117::cid_770124

SMILES CC1(C(=O)N2CCN(c3ncnc4c3c3ccc(S(=O)(=O)NC5(C#N)CC5)cc3n4-c3nnc(C(F)F)s3)CC2)CC1

InChI Key InChIKey=OOAFJNWLNXSWAY-UHFFFAOYSA-N

Data  1 IC50  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 = 83747   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83747BDBM83747(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