Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50031408'
TargetProteinase-activated receptor 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50031408((S)-2-[(S)-3-(4-Amino-phenyl)-2-((S)-2-amino-propi...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H52N10O5/c1-16(2)13-22(27(43)37-21(25(33)41)7-6-12-36-30(34)35)39-28(44)23(14-17(3)4)40-29(45)24(38-26(42)18(5)31)15-19-8-10-20(32)11-9-19/h8-11,16-18,21-24H,6-7,12-15,31-32H2,1-5H3,(H2,33,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t18-,21-,22-,23-,24-/m0/s1
Affinity DataEC50:  2.35E+5nMAssay Description:Evaluated for the activation of human thrombin receptor measured by platelet aggregationMore data for this Ligand-Target Pair