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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 1' and Ligand = 'BDBM50329616'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Proteinase-activated receptor 1


(Homo sapiens (Human))		BDBM50329616
PNG
(CHEMBL1270537 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-...)
Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccc2C#N)C1 |r,w:21.23|
Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-23-11-12-25-21(14-23)15-27-28(18(2)37-29(27)34)26(25)13-10-22-9-8-20(17-32-22)24-7-5-4-6-19(24)16-31/h4-10,13,17-18,21,23,25-28H,3,11-12,14-15H2,1-2H3,(H,33,35)/t18-,21+,23-,25-,26+,27-,28+/m1/s1
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Article
PubMed
 15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of high affinity TRAP form human platelet PAR1

Bioorg Med Chem Lett 20: 6676-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.009
BindingDB Entry DOI: 10.7270/Q2KS6RSH
More data for this
Ligand-Target Pair