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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50277549'   
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
P2X purinoceptor 7


(Mus musculus)
BDBM50277549
PNG
(CHEMBL1823297)
Show SMILES O=Cc1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip


Eur J Med Chem 139: 698-717 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.034
BindingDB Entry DOI: 10.7270/Q2TX3HWC
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Mus musculus)
BDBM50277549
PNG
(CHEMBL1823297)
Show SMILES O=Cc1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 167n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake after 25 min...


Eur J Med Chem 139: 698-717 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.034
BindingDB Entry DOI: 10.7270/Q2TX3HWC
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))
BDBM50277549
PNG
(CHEMBL1823297)
Show SMILES O=Cc1cn(nn1)-c1ccccc1
Show InChI InChI=1S/C9H7N3O/c13-7-8-6-12(11-10-8)9-4-2-1-3-5-9/h1-7H
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 478n/an/an/an/an/an/a



Instituto de Tecnologia em F£rmacos

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...


Eur J Med Chem 139: 698-717 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.034
BindingDB Entry DOI: 10.7270/Q2TX3HWC
More data for this
Ligand-Target Pair