BDBM83777 MLS000390844::N-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide::N-[(4-chloro-3-nitro-benzylidene)amino]-1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxamide::N-[(4-chloro-3-nitrophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxamide::N-[(4-chloro-3-nitrophenyl)methylideneamino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide::SMR000259882::cid_2352358

SMILES CC1(C(=O)N2CC3CN(c4ncnc5c4c4ccc(S(=O)(=O)NC6(C#N)CC6)cc4n5-c4nnc(C(F)F)s4)CC3C2)CC1

InChI Key InChIKey=CFXQLSJQBLBPLQ-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 = 83777   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83777BDBM83777(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