BDBM72848 (E)-3-[2-(1-azepanyl)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-cyano-2-propenoic acid methyl ester::(E)-3-[2-(azepan-1-yl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-acrylic acid methyl ester::MLS001214709::SMR000543620::cid_1850202::methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-prop-2-enoate::methyl (E)-3-[2-(azepan-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

SMILES COC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCCCCC1)\C#N

InChI Key InChIKey=ALWLRSIGXVGTJV-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72848   

TargetHistamine H4 receptor(Human)
Faes Farma

US Patent
LigandChemical structure of BindingDB Monomer ID 72848BDBM72848(US12492199, Example 28)
Affinity DataIC50: 100nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2026
Entry Details PCBioAssay