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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 = 'BDBM50446332'   
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))		BDBM50446332
PNG
(CHEMBL3109590)
Show SMILES CCNC(=O)NC[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:22.24|
Show InChI InChI=1S/C30H36FN3O3/c1-3-32-30(36)34-16-19-7-11-25-22(13-19)15-27-28(18(2)37-29(27)35)26(25)12-10-24-9-8-21(17-33-24)20-5-4-6-23(31)14-20/h4-6,8-10,12,14,17-19,22,25-28H,3,7,11,13,15-16H2,1-2H3,(H2,32,34,36)/t18-,19-,22+,25-,26+,27-,28+/m1/s1
PDB

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Similars
Article
PubMed
 13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis

ACS Med Chem Lett 5: 183-7 (2014)


Article DOI: 10.1021/ml400452v
BindingDB Entry DOI: 10.7270/Q2V40WPG
More data for this
Ligand-Target Pair