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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 = 'BDBM50446335'   
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))		BDBM50446335
PNG
(CHEMBL3109587)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(=O)C4CCNCC4)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C33H40FN3O3/c1-20-31-29(10-8-27-7-6-24(19-36-27)23-3-2-4-26(34)16-23)28-9-5-21(15-25(28)17-30(31)33(39)40-20)18-37-32(38)22-11-13-35-14-12-22/h2-4,6-8,10,16,19-22,25,28-31,35H,5,9,11-15,17-18H2,1H3,(H,37,38)/b10-8+/t20-,21-,25+,28-,29+,30-,31+/m1/s1
PDB

KEGG

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PC cid
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Similars
Article
PubMed
 14n/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