BDBM83751 MLS000536188::SMR000155491::[3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)-2-thiophenyl]-phenylmethanone::[3-amino-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-phenylmethanone::[3-azanyl-4-(1,3-benzothiazol-2-yl)-5-(prop-2-enylamino)thiophen-2-yl]-phenyl-methanone::[5-(allylamino)-3-amino-4-(1,3-benzothiazol-2-yl)-2-thienyl]-phenyl-methanone::cid_2354941

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5CCN(C(=O)c6ccccn6)CC5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=PSBAVGZWZWTDPK-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83751   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83751BDBM83751(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