BDBM79958 3-[2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophen-3-yl]-2-propyn-1-ol::3-[2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophen-3-yl]prop-2-yn-1-ol::3-[2-[4-(dimethylamino)phenyl]-5-methoxy-benzothiophen-3-yl]prop-2-yn-1-ol::MLS002391659::SMR001355624::cid_44142494

SMILES Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2c(F)cc(CCOC3CCN(c4ccc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)nn4)CC3)cc2F)c2cc[nH]c2c1=O

InChI Key InChIKey=NHRNVKYKZDAAPC-UHFFFAOYSA-N

Data  2 IC50

  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 3 hits for monomerid = 79958   

TargetProgesterone receptor ligand binding domain (LBD)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79958BDBM79958(US20250388575, Compound I-109)
Affinity DataIC50: 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 79958BDBM79958(US20250388575, Compound I-109)
Affinity DataKd:  550nMAssay 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 79958BDBM79958(US20250388575, Compound I-109)
Affinity DataKd:  550nMAssay 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