BDBM50070679 (S)-2-[(S)-2-{(S)-3-(4-Fluoro-phenyl)-2-[(E)-(3-phenyl-acryloyl)amino]-propionylamino}-3-(4-guanidino-phenyl)-propionylamino]-4-methyl-pentanoic acid [(S)-1-((S)-1-carbamoyl-4-guanidino-butylcarbamoyl)-4-guanidino-butyl]-amide::CHEMBL46869

SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#7])=O

InChI Key InChIKey=RKJFPWRFFRXZSD-UHFFFAOYSA-N

Data  1 IC50

  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 = 50070679   

TargetProteinase-activated receptor 1(Human)
R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50070679((S)-2-[(S)-2-{(S)-3-(4-Fluoro-phenyl)-2-[(E)-(3-ph...)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of [3H]S-(p-F-Phe)-Har-L-Har-KY-NH2 binding to a thrombin receptor (PAR-1) membrane preparation.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed