BDBM83779 N-(1-Cyanocyclopropyl)-9-(5- (difluoromethyl)-1,3,4-thiadiazol-2-yl)-4- ((2S,5R)-4-isobutyryl-2,5-dimethylpiperazin- 1-yl)-9H-pyrimido[4,5-b]indole-7- sulfonamide::US20250388589, Example 38

SMILES CC(C)C(=O)N1C[C@H](C)N(c2ncnc3c2c2ccc(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)C[C@H]1C

InChI Key InChIKey=CKDPUIVPKJEXHU-UHFFFAOYSA-N

Data  1 IC50

  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 = 83779   

TargetPoly(ADP-ribose) glycohydrolase(Human)
Danatlas Pharmaceuticals Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 83779BDBM83779(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