BDBM50260291 (S)-2-[(S)-5-Guanidino-2-((S)-2-mercapto-3-phenyl-propionylamino)-pentanoylamino]-propionic acid::CHEMBL521660

SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O

InChI Key InChIKey=LXYHYGZJHARYQW-UBHSHLNASA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50260291   

TargetBotulinum neurotoxin type A(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50260291((S)-2-[(S)-5-Guanidino-2-((S)-2-mercapto-3-phenyl-...)
Affinity DataKi:  6.00E+4nMAssay Description:Inhibition of BoNT/A light chain metalloprotease activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed