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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 = 'BDBM50446339'   
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))
BDBM50446339
PNG
(CHEMBL3109583)
Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNC(C)=O)CC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C29H33FN2O3/c1-17-28-26(11-9-24-8-7-21(16-32-24)20-4-3-5-23(30)13-20)25-10-6-19(15-31-18(2)33)12-22(25)14-27(28)29(34)35-17/h3-5,7-9,11,13,16-17,19,22,25-28H,6,10,12,14-15H2,1-2H3,(H,31,33)/b11-9+/t17-,19-,22+,25-,26+,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/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