BDBM714631 US20250025459, Compound I-016::US20250127788, Compound I-016::US20260125365, Compound I-0380

SMILES Cn1cc2cc(Nc3nc(=O)n(-c4cncc5ccccc45)c(=O)n3Cc3cc(F)c(F)c(F)c3)ccc2n1

InChI Key InChIKey=YEZDJIJPKWVATK-UHFFFAOYSA-N

  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 3 hits for monomerid = 714631   

TargetReplicase polyprotein 1a(2019-nCoV)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 714631BDBM714631(US20250025459, Compound I-016 | US20250127788, Com...)
Affinity DataIC50: 100nMAssay Description:In this test, an assay buffer consisting of 20 mM Tris-HCl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is used. For compounds with a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/29/2025
Entry Details
US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 714631BDBM714631(US20250025459, Compound I-016 | US20250127788, Com...)
Affinity DataIC50: 100nMAssay Description:Preparation of Assay Buffer:In this test, an assay buffer consisting of 20 mM Tris-Hl, 100 mM sodium chloride, 1 mM EDTA, 10 mM DTT, and 0.01% BSA is...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
8/25/2025
Entry Details
US Patent

TargetReplicase polyprotein 1a(2019-nCoV)
Shionogi

US Patent
LigandChemical structure of BindingDB Monomer ID 714631BDBM714631(US20250025459, Compound I-016 | US20250127788, Com...)
Affinity DataIC50: 100nMAssay Description:Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/16/2026
Entry Details
US Patent