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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 = 'BDBM50031389'   
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))
BDBM50031389
PNG
((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-pro...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C36H55N9O6/c1-21(2)17-28(33(49)42-27(31(38)47)11-8-16-41-36(39)40)44-34(50)29(18-22(3)4)45-35(51)30(20-23-9-6-5-7-10-23)43-32(48)26(37)19-24-12-14-25(46)15-13-24/h5-7,9-10,12-15,21-22,26-30,46H,8,11,16-20,37H2,1-4H3,(H2,38,47)(H,42,49)(H,43,48)(H,44,50)(H,45,51)(H4,39,40,41)/t26-,27-,28-,29-,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair