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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Proteinase-activated receptor 2' and Ligand = 'BDBM50233671'   
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 2


(Homo sapiens (Human))
BDBM50233671
PNG
(CHEMBL4100763)
Show SMILES NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1S/C23H35N5O5/c24-19(29)14-25-23(32)20(16-9-5-2-6-10-16)28-21(30)17(13-15-7-3-1-4-8-15)27-22(31)18-11-12-26-33-18/h11-12,15-17,20H,1-10,13-14H2,(H2,24,29)(H,25,32)(H,27,31)(H,28,30)
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PC cid
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Article
PubMed
n/an/an/an/a 20n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair
Proteinase-activated receptor 2


(Homo sapiens (Human))
BDBM50233671
PNG
(CHEMBL4100763)
Show SMILES NC(=O)CNC(=O)C(NC(=O)C(CC1CCCCC1)NC(=O)c1ccno1)C1CCCCC1
Show InChI InChI=1S/C23H35N5O5/c24-19(29)14-25-23(32)20(16-9-5-2-6-10-16)28-21(30)17(13-15-7-3-1-4-8-15)27-22(31)18-11-12-26-33-18/h11-12,15-17,20H,1-10,13-14H2,(H2,24,29)(H,25,32)(H,27,31)(H,28,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human PAR2 expressed in CHO cells assessed as induction of intracellular calcium release measured for 300 secs by Fluo-3 AM dye-b...


ACS Med Chem Lett 7: 105-10 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00429
BindingDB Entry DOI: 10.7270/Q2X92DJ0
More data for this
Ligand-Target Pair