BDBM79936 2-keto-6-[[(E)-3-(3-methoxyphenyl)acryloyl]oxymethyl]-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::6-[[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester::MLS001080861::SMR000717324::cid_24817071::ethyl 6-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate::ethyl 6-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

SMILES Cn1cc(-c2cc(C(C)(C)O)ccc2Oc2ccc(C3CN(c4ccc(C(=O)N[C@H]5CC[C@H](Oc6ccc(C#N)c(Cl)c6)CC5)nn4)C3)cc2)c2cc[nH]c2c1=O

InChI Key InChIKey=KJPXMZODSHKVPL-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 1 hit for monomerid = 79936   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79936BDBM79936(US20250388575, Compound I-104)
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