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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 = 'BDBM50260518'   
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))
BDBM50260518
PNG
(CHEMBL442649 | 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)-c2cccc(c2)C#N)C1 |r,w:21.23|
Show InChI InChI=1S/C30H33N3O4/c1-3-36-30(35)33-24-10-11-25-22(14-24)15-27-28(18(2)37-29(27)34)26(25)12-9-23-8-7-21(17-32-23)20-6-4-5-19(13-20)16-31/h4-9,12-13,17-18,22,24-28H,3,10-11,14-15H2,1-2H3,(H,33,35)/t18-,22+,24-,25-,26+,27-,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelets


J Med Chem 51: 3061-4 (2008)


Article DOI: 10.1021/jm800180e
BindingDB Entry DOI: 10.7270/Q28W3D3H
More data for this
Ligand-Target Pair