BDBM801809 US12605353, Compound 58i::methyl 4-methoxy-5-(3-(N-(2-phenylacetyl)propiolamido)propoxy)-2-propiolamidobenzoate

SMILES C#CC(=O)Nc1cc(OC)c(OCCCN(C(=O)C#C)C(=O)Cc2ccccc2)cc1C(=O)OC

InChI Key InChIKey=MLNCWJUCTGUYMW-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 801809   

TargetProtein disulfide-isomerase A4(Human)
Academia Sinica

US Patent
LigandChemical structure of BindingDB Monomer ID 801809BDBM801809(methyl 4-methoxy-5-(3-(N-(2-phenylacetyl)propiolam...)
Affinity DataIC50: 1.90nMAssay 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