BDBM96996 2-(2-azanylidene-3-butyl-benzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide::2-(3-Butyl-2-imino-2,3-dihydro-benzoimidazol-1-yl)-1-(4-methoxy-phenyl)-ethanone::2-(3-butyl-2-imino-1-benzimidazolyl)-1-(4-methoxyphenyl)ethanone;hydrobromide::2-(3-butyl-2-imino-benzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide::2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide::MLS001012181::SMR000425178::cid_16682692

SMILES O=C1CCC(N2Cc3cc4c(cc3C2=O)OC[C@@H]2CN(CC3CC5(CCN(c6ccc([C@H]7c8ccc(O)cc8OC[C@H]7c7ccccc7)cc6)CC5)C3)CCN42)C(=O)N1

InChI Key InChIKey=CVMVJWKVDKEFOF-UHFFFAOYSA-N

Data  1 EC50

  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 2 hits for monomerid = 96996   

TargetSteroid hormone receptor ERR1 LBD(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96996BDBM96996(3-((S)-3-((7-(4-((3R,4S)-7-hydroxy-3- phenylchroma...)
Affinity DataIC50: 5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent

TargetDNA damage-binding protein 1/Protein cereblon(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96996BDBM96996(3-((S)-3-((7-(4-((3R,4S)-7-hydroxy-3- phenylchroma...)
Affinity DataIC50: 2.75E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent