BDBM801811 US12605353, Compound 58r::methyl 5-(3-(N-(2-(3-chlorophenyl)acetyl)propiolamido)propoxy)-4-methoxy-2-propiolamidobenzoate

SMILES C#CC(=O)Nc1cc(OC)c(OCCCN(C(=O)C#C)C(=O)Cc2cccc(Cl)c2)cc1C(=O)OC

InChI Key InChIKey=GSOUGDFLKBLNOK-UHFFFAOYSA-N

Data  1 IC50

  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 = 801811   

TargetProtein disulfide-isomerase A4(Human)
Academia Sinica

US Patent
LigandChemical structure of BindingDB Monomer ID 801811BDBM801811(methyl 5-(3-(N-(2-(3-chlorophenyl)acetyl)propiolam...)
Affinity DataIC50: 1.60nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/31/2026
Entry Details
US Patent