Reaction Details Report a problem with these data
Target
Proteinase-activated receptor 1
Ligand
BDBM50191050
Substrate
n/a
Meas. Tech.
ChEMBL_401364 (CHEMBL854222)
IC50
217±n/a nM
Citation
 Xia, Y; Chackalamannil, S; Chan, TM; Czarniecki, M; Doller, D; Eagen, K; Greenlee, WJ; Tsai, H; Wang, Y; Ahn, HS; Boykow, GC; McPhail, AT Himbacine derived thrombin receptor (PAR-1) antagonists: structure-activity relationship of the lactone ring. Bioorg Med Chem Lett 16:4969-72 (2006) [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:
BDBM50191050
Synonyms:
6-methoxy-2-(2-((1R,3R,3aS,4S,4aR,8aS,9aR)-1-methoxy-3-methyl-dodecahydronaphtho[2,3-c]furan-4-yl)vinyl)quinoline | CHEMBL214575
Type:
Small organic molecule
Emp. Form.:
C26H33NO3
Mol. Mass.:
407.5451
SMILES:
CO[C@@H]1O[C@H](C)[C@@H]2[C@H]1C[C@@H]1CCCC[C@H]1[C@@H]2\C=C\c1ccc2cc(OC)ccc2n1
Structure:
Search PDB for entries with ligand similarity: