Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-4-[3-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoylamino]-N-benzyl-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indazol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]butanamide
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 PubChem ID
CID: 155526775
Canonical SMILES
NCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCC[C@H](NC(=O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)Nc2ccc3c(CN4CCCC4)nn(Cc4c(Cl)cccc4Cl)c3c2)C(=O)NCc2ccccc2)nn1
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Compound Formula C63H84Cl2F2N12O12
Compound Structure
Protein Name
 Protein Info 
Proteinase-activated receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Protease-activated receptor
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Protease-activated receptor
Uniprot ID
P25116
Gene Name
F2R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000213 EA.hy 926
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 97 nM
   TI
   LI
   LO
   TS
CL000111 MDA-MB-231
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS