BDBM46472 1-(5-(4-amino-6- (trifluoromethyl) nicotinoyl)- 2-(4-cyclobutyl-2- hydroxyphenyl)- 2,3,4,5,5a,6,8,9- octahydro-7H-1,2,5,7- tetraazabenzo[cd]azulen- 7-yl)-4-methoxybut-2- en-1-one::US20250346600, Compound 239

SMILES COC/C=C/C(=O)N1CCc2nn(-c3ccc(C4CCC4)cc3O)c3c2C(C1)N(C(=O)c1cnc(C(F)(F)F)cc1N)CC3

InChI Key InChIKey=VPHVVYKXHDURPM-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 46472   

LigandChemical structure of BindingDB Monomer ID 46472BDBM46472(1-(5-(4-amino-6- (trifluoromethyl) nicotinoyl)- 2-...)
Affinity DataIC50: 10nMAssay 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 46472BDBM46472(1-(5-(4-amino-6- (trifluoromethyl) nicotinoyl)- 2-...)
Affinity DataIC50: 55nMAssay 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