BDBM50228764 (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE::(2S,4R)-1-Acetyl-4-hydroxy-pyrrolidine-2-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide::(2S,4R)-1-acetyl-N-((S)-1-(benzo[d]thiazol-2-yl)-5-guanidino-1-oxopentan-2-yl)-4-hydroxypyrrolidine-2-carboxamide::CHEMBL256892::RWJ-56423

SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1

InChI Key InChIKey=NEUQZKUUGMDKLZ-UHFFFAOYSA-N

Data  1 KI

  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 = 50228764   

TargetSerine protease 1(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50228764(RWJ-56423 | (2S,4R)-1-Acetyl-4-hydroxy-pyrrolidine...)
Affinity DataKi:  8.10nMAssay Description:Binding affinity against human alpha trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed