Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50129486'
TargetProteinase-activated receptor 1(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50129486((S)-N-[1-((S)-2-Amino-ethylcarbamoyl)-2-thiophen-2...)
Show SMILES NCCNC(=O)[C@H](Cc1cccs1)NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1
Show InChI InChI=1S/C39H41Cl2F2N7O3S/c40-30-6-3-7-31(41)29(30)23-50-22-25(21-49-14-1-2-15-49)28-10-9-26(19-36(28)50)46-39(53)48-34(18-24-8-11-32(42)33(43)17-24)38(52)47-35(37(51)45-13-12-44)20-27-5-4-16-54-27/h3-11,16-17,19,22,34-35H,1-2,12-15,18,20-21,23,44H2,(H,45,51)(H,47,52)(H2,46,48,53)/t34-,35-/m0/s1
Affinity DataIC50: 35nMAssay Description:Ability to inhibit the binding of [3H]-S-(p-F-Phe)-homoarginine-L-homoarginine-KY-NH2 to thrombin receptor on the membranes of CHRF-288-11 cellsMore data for this Ligand-Target Pair