BDBM50073997 (2S)-5-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-2-[(2S)-2-[(2S)-3-(4-benzoylphenyl)-2-[(2S)-3-(4-carbamimidamidophenyl)-2-[(2S)-3-(4-fluorophenyl)-2-[(2E)-3-phenylprop-2-enamido]propanamido]propanamido]propanamido]-5-carbamimidamidopentanamido]pentanoic acid::CHEMBL274769

SMILES [#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)-[#6](=O)-c1ccccc1)-[#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](=O)-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#16]-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#7]-[#6@@H]-1-2)-[#6](-[#8])=O

InChI Key InChIKey=NTJFEVYXYKAVIX-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 = 50073997   

TargetProteinase-activated receptor 1(Human)
University At Stony Brook

Curated by ChEMBL
LigandPNGBDBM50073997((2S)-5-{5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[...)
Affinity DataIC50: 3.40E+3nMAssay Description:Human Thrombin receptor 1 (PAR-1) antagonistic ability to inhibit SFLLRN-NH2 (2.7 uM)-induced platelet aggregationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed