BDBM66867 MLS001219329::N-(2-phenylethyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide::N-(2-phenylethyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide::N-Phenethyl-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-acetamide::N-phenethyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide::SMR000612339::cid_2194607

SMILES N=C(N)NCCC[C@H](NC(=O)[C@@H](CCCCN)[C@]1(C(N)=O)CCCN1C(=O)[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(O)cc1)C(N)=O

InChI Key InChIKey=WVTGQGBGTXTREV-UHFFFAOYSA-N

Data  1 EC50

  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 = 66867   

TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue Research Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 66867BDBM66867((S)-((S)-6-amino-1-(((S)-1-amino-5-guanidino-1-oxo...)
Affinity DataIC50: 1.00E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details
US Patent