BDBM79944 MLS001080195::N-[2-[(5Z)-2,4-bis(oxidanylidene)-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide::N-[2-[(5Z)-2,4-diketo-5-(3-pyridylmethylene)thiazolidin-3-yl]ethyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide::N-[2-[(5Z)-2,4-dioxo-5-(3-pyridinylmethylidene)-3-thiazolidinyl]ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide::N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide::SMR000717597::cid_24979400

SMILES CCS(=O)(=O)Cc1ccc(Oc2cccc(CCCOC3CCN(c4ccc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)nn4)CC3)c2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=BNJQKZDJELTZGU-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79944   

TargetBromodomain-containing protein 4 [58-164](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79944BDBM79944(US20250388575, Compound I-29)
Affinity DataKd:  55nMAssay 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

TargetBromodomain-containing protein 4 [353-454](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79944BDBM79944(US20250388575, Compound I-29)
Affinity DataKd:  55nMAssay 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