BDBM42429 1-(4-methylphenyl)-2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl)ethanone;bromide::1-[2-(4-methylphenyl)-2-oxoethyl]-3-phenyl-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide::2-(3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl)-1-(p-tolyl)ethanone;bromide::MLS000571358::SMR000193443::cid_2873634

SMILES C=CC(=O)N1CC(OC)c2nn(-c3ccc(C4CCC4)cc3O)c3c2C(C1)N(C(=O)c1cnc(C(F)(F)F)c(O)c1)CC3

InChI Key InChIKey=VIRLFYAIXYKOCM-UHFFFAOYSA-N

Data  3 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 2 hits for monomerid = 42429   

LigandChemical structure of BindingDB Monomer ID 42429BDBM42429(1-(2-(4-cyclobutyl-2- hydroxyphenyl)-5-(5- hydroxy...)
Affinity DataIC50: 1.5nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 42429BDBM42429(1-(2-(4-cyclobutyl-2- hydroxyphenyl)-5-(5- hydroxy...)
Affinity DataIC50: 3.25nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent