BDBM72967 MLS001175409::N-(5-chloranyl-2-cyano-phenyl)-2-(thiophen-2-ylmethylamino)ethanamide;ethanedioic acid::N-(5-chloro-2-cyano-phenyl)-2-(2-thenylamino)acetamide;oxalic acid::N-(5-chloro-2-cyanophenyl)-2-(thiophen-2-ylmethylamino)acetamide;oxalic acid::SMR000588112::cid_16245557

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC2(CC2)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O

InChI Key InChIKey=PMPHPLOZAMJZNA-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72967   

TargetReplicase polyprotein 1ab(2019-nCoV)
Trawsfynydd Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 72967BDBM72967((7S)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]...)
Affinity DataIC50: 30nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2026
Entry Details
US Patent