BDBM42541 1-(2-(4-cyclobutyl-2- hydroxyphenyl)-5-(6- ((trifluoromethyl)thio) nicotinoyl)- 2,3,4,5,5a,6,8,9- octahydro-7H-1,2,5,7- tetraazabenzo[cd]azulen- 7-yl)prop-2-en-1-one::US20250346600, Compound 157

SMILES C=CC(=O)N1CCc2nn(-c3ccc(C4CCC4)cc3O)c3c2C(C1)N(C(=O)c1ccc(SC(F)(F)F)nc1)CC3

InChI Key InChIKey=BIWOHGQOCMGKSL-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42541   

LigandChemical structure of BindingDB Monomer ID 42541BDBM42541(1-(2-(4-cyclobutyl-2- hydroxyphenyl)-5-(6- ((trifl...)
Affinity DataIC50: 1.5nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...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 42541BDBM42541(1-(2-(4-cyclobutyl-2- hydroxyphenyl)-5-(6- ((trifl...)
Affinity DataIC50: 10nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute (TSRI) Assay Provid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2026
Entry Details
US Patent