BDBM79959 (1S,5R)-3-(2-benzoxyphenyl)-8-[2-(2-chlorophenoxy)ethylcarbamoyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester::(1S,5R)-8-[[2-(2-chlorophenoxy)ethylamino]-oxomethyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester::MLS002472197::SMR001395348::cid_44144121::methyl (1S,5R)-8-[2-(2-chloranylphenoxy)ethylcarbamoyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate::methyl (1S,5R)-8-[2-(2-chlorophenoxy)ethylcarbamoyl]-3-(2-phenylmethoxyphenyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

SMILES CCS(=O)(=O)c1ccc(Oc2ccc(N3CC4(CCN(c5ccc(C(=O)N[C@H]6CC[C@H](Oc7ccc(C#N)c(Cl)c7)CC6)nn5)CC4)C3)cc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1

InChI Key InChIKey=DNZABSXHTDRSQA-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 = 79959   

TargetBromodomain-containing protein 4 [58-164](Human)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79959BDBM79959(US20250388575, Compound I-90)
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)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79959BDBM79959(US20250388575, Compound I-90)
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 79959BDBM79959(US20250388575, Compound I-90)
Affinity DataIC50: 5.50E+3nMAssay 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