BDBM83780 2-[[2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester::4-(4-fluorophenyl)-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester::MLS000335720::SMR000253474::cid_3889086::ethyl 4-(4-fluorophenyl)-2-[2-[6-methyl-2,4-bis(oxidanylidene)-1,3-diazaspiro[4.5]decan-3-yl]ethanoylamino]thiophene-3-carboxylate::ethyl 4-(4-fluorophenyl)-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]thiophene-3-carboxylate

SMILES N#CC1(NS(=O)(=O)c2ccc3c4c(N5C[C@@H](C)N(C(=O)CN6CCOCC6)[C@@H](C)C5)ncnc4n(-c4nnc(C(F)F)s4)c3c2)CC1

InChI Key InChIKey=VQSHZRBERVIJRT-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83780   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83780BDBM83780(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