BDBM79954 3-(1-hydroxy-1-methyl-ethyl)-7-[2-(3-thienyl)ethynyl]isocoumarin::3-(2-hydroxypropan-2-yl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one::3-(2-hydroxypropan-2-yl)-7-[2-(3-thiophenyl)ethynyl]-2-benzopyran-1-one::3-(2-oxidanylpropan-2-yl)-7-(2-thiophen-3-ylethynyl)isochromen-1-one::MLS002402825::SMR001370593::cid_44142309

SMILES CCS(=O)(=O)c1ccc(Oc2cccc(CCC3CCN(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=OPZVXHKGDPCTDW-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 = 79954   

TargetBromodomain-containing protein 4 [353-454](Human)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79954BDBM79954(US20250388575, Compound I-51)
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

TargetProgesterone receptor ligand binding domain (LBD)(Human)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79954BDBM79954(US20250388575, Compound I-51)
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 [58-164](Human)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79954BDBM79954(US20250388575, Compound I-51)
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