BDBM79926 MLS000912821::N-[2-(4-chlorophenyl)ethyl]-2-(N-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-methyl-anilino)acetamide::N-[2-(4-chlorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-methylphenyl)amino]ethanamide::N-[2-(4-chlorophenyl)ethyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide::N-[2-(4-chlorophenyl)ethyl]-2-[N-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-methylanilino]acetamide::SMR000622754::cid_15990985

SMILES CCS(=O)(=O)Nc1ccc(Oc2cccc(OCCOCCOCCOCCOCCOC3CCN(c4ccc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)nn4)CC3)c2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=HOKCGORGAHWULJ-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 3 hits for monomerid = 79926   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79926BDBM79926(US20250388575, Compound I-3)
Affinity DataKd: <10nMAssay 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

TargetAndrogen receptor(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79926BDBM79926(US20250388575, Compound I-3)
Affinity DataKd: <10nMAssay 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 79926BDBM79926(US20250388575, Compound I-3)
Affinity DataKd: <10nMAssay 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