BDBM79953 (3aS,4S,9aS,9bR)-2-ethyl-4-[4-(ethylthio)-3-methoxy-phenyl]-1,3-diketo-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester::(3aS,4S,9aS,9bR)-2-ethyl-4-[4-(ethylthio)-3-methoxyphenyl]-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylic acid methyl ester::MLS001362134::N/A::SMR001217213::cid_42600974::methyl (3aS,4S,9aS,9bR)-2-ethyl-4-(4-ethylsulfanyl-3-methoxy-phenyl)-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate::methyl (3aS,4S,9aS,9bR)-2-ethyl-4-(4-ethylsulfanyl-3-methoxyphenyl)-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate

SMILES CCS(=O)(=O)c1ccc(Oc2ccc(CCC3CCN(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=KLDHUOQEOZOVDJ-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 = 79953   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 79953BDBM79953(US20250388575, Compound I-50)
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)
Halda Therapeutics OpCo

US Patent
LigandChemical structure of BindingDB Monomer ID 79953BDBM79953(US20250388575, Compound I-50)
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 79953BDBM79953(US20250388575, Compound I-50)
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