BDBM624954 US11780852, Example 5-10

SMILES CN(C)C(C)(C)/C=C/S(=O)(=NC#N)NC(=O)Nc1c2c(cc3c1CCC3)CCC2

InChI Key InChIKey=MAHRLRJMXPLQJA-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 624954   

TargetInterleukin-1 beta(Human)
Zydus Lifesciences

US Patent
LigandChemical structure of BindingDB Monomer ID 624954BDBM624954((E)-N'-cyano-3-(dimethylamino)-N-((1,2,3,5,6,7-hex...)
Affinity DataIC50: 6.5nMAssay Description:JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2026
Entry Details
US Patent