BDBM79942 MLS001072368::SMR000653885::[3-(3,4-dimethylanilino)-1-piperidinyl]-[3-(1H-imidazol-2-yl)phenyl]methanone::[3-(3,4-dimethylanilino)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone::[3-(3,4-dimethylanilino)piperidino]-[3-(1H-imidazol-2-yl)phenyl]methanone::[3-[(3,4-dimethylphenyl)amino]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone::cid_24819406

SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(CCCOC3CCN(c4ccc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)nn4)CC3)cc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=AFEKICQSZHIMRP-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 = 79942   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79942BDBM79942(US20250388575, Compound I-36)
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 [58-164](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79942BDBM79942(US20250388575, Compound I-36)
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