BDBM71987 5-[bis(2-chloroethyl)aminomethyl]-2-ethoxy-benzoic acid methyl ester;hydrochloride::5-[bis(2-chloroethyl)aminomethyl]-2-ethoxybenzoic acid methyl ester;hydrochloride::5-{[Bis-(2-chloro-ethyl)-amino]-methyl}-2-ethoxy-benzoic acid methyl ester::MLS000556460::SMR000147777::cid_9551739::methyl 5-[bis(2-chloroethyl)aminomethyl]-2-ethoxy-benzoate;hydrochloride::methyl 5-[bis(2-chloroethyl)aminomethyl]-2-ethoxybenzoate;hydrochloride

SMILES CCOc1ccc(CN(CCCl)CCCl)cc1C(=O)OC

InChI Key InChIKey=KGCUCBMHEBZAAR-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 = 71987   

Target1-phosphatidylinositol 3-phosphate 5-kinase(Human)
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US Patent
LigandChemical structure of BindingDB Monomer ID 71987BDBM71987(4-[5-[3-(3-methoxyphenyl)pyrazol-1- yl]-2-(3-pyrid...)
Affinity DataIC50: 7.10nMAssay 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:
4/13/2026
Entry Details PCBioAssay