Reaction Details Report a problem with these data
Target
Proteinase-activated receptor 1
Ligand
BDBM50054869
Substrate
n/a
Meas. Tech.
ChEMBL_209251 (CHEMBL815692)
IC50
19±n/a nM
Citation
 Bernatowicz, MS; Klimas, CE; Hartl, KS; Peluso, M; Allegretto, NJ; Seiler, SM Development of potent thrombin receptor antagonist peptides. J Med Chem 39:4879-87 (1997) [PubMed]  Article 
Target
Name:
Proteinase-activated receptor 1
Synonyms:
CF2R | Coagulation factor II receptor | F2R | PAR-1 | PAR1 | PAR1_HUMAN | Proteinase activated receptor 1 | Proteinase-activated receptor 1 (PAR-1) | TR | Thrombin receptor | Thrombin receptor/ Proteinase-activated receptor 1(Par-1)
Type:
Protein
Mol. Mass.:
47450.07
Organism:
Homo sapiens (Human)
Description:
P25116
Residue:
425
Sequence:
MGPRRLLLVAACFSLCGPLLSARTRARRPESKATNATLDPRSFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWLTLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISYYFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASFTCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFVPLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIICFGPTNVLLIAHYSFLSHTSTTEAAYFAYLLCVCVSSISCCIDPLIYYYASSECQRYVYSILCCKESSDPSSYNSSGQLMASKMDTCSSNLNNSIYKKLLT
  
Inhibitor
Name:
BDBM50054869
Synonyms:
1H-Indole-3-carboxylic acid [1-[1-[1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-guanidino-phenyl)-ethylcarbamoyl]-2-(4-fluoro-phenyl)-ethyl]-amide | CHEMBL342745
Type:
Small organic molecule
Emp. Form.:
C40H51FN12O5
Mol. Mass.:
798.9087
SMILES:
CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c[nH]c2ccccc12)C(=O)NC(CCCNC(N)=N)C(N)=O |(11.06,-13.01,;11.83,-11.69,;11.06,-10.36,;13.37,-11.69,;14.14,-13.01,;15.67,-13.01,;16.46,-11.69,;15.67,-10.36,;18,-11.69,;18.77,-10.36,;20.32,-10.36,;21.09,-11.69,;22.62,-11.69,;23.39,-10.36,;22.62,-9.01,;21.09,-9.01,;24.93,-10.36,;25.7,-11.69,;27.24,-11.69,;24.93,-13.01,;18.77,-13.01,;18,-14.35,;16.46,-14.35,;18.77,-15.69,;20.32,-15.69,;21.63,-16.6,;21.63,-18.14,;22.96,-18.91,;24.31,-18.14,;25.63,-18.91,;24.31,-16.6,;22.96,-15.83,;18,-17.02,;18.77,-18.36,;20.32,-18.36,;18,-19.7,;16.46,-19.86,;16.15,-21.36,;17.49,-22.13,;17.81,-23.64,;19.26,-24.12,;20.41,-23.07,;20.09,-21.57,;18.62,-21.09,;13.37,-14.35,;14.14,-15.69,;11.83,-14.35,;11.06,-15.69,;9.52,-15.69,;8.75,-14.35,;7.21,-14.35,;6.45,-13.01,;4.9,-13.01,;4.13,-14.35,;4.13,-11.69,;11.83,-17.02,;13.37,-17.02,;11.06,-18.36,)|
Structure:
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