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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50536400'   
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


(Homo sapiens (Human))		BDBM50536400
PNG
(CHEMBL4513283)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C31H28N4O5S/c1-39-26-9-7-23(8-10-26)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-11-27(12-6-22)40-41(37,38)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 64n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor in LPS/IFN-gamma-differentiated human THP-1 cells assessed as suppression of BzATP-stimulated IL-1beta rel...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50536400
PNG
(CHEMBL4513283)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C31H28N4O5S/c1-39-26-9-7-23(8-10-26)31(36)34-17-14-25(15-18-34)35-21-33-20-29(35)22-5-11-27(12-6-22)40-41(37,38)30-4-2-3-24-19-32-16-13-28(24)30/h2-13,16,19-21,25H,14-15,17-18H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Gwangju Institute of Science and Technology (GIST)

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake measured after 2 hrs by fluo...

J Med Chem 59: 7410-30 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01690
BindingDB Entry DOI: 10.7270/Q2BC431Q
More data for this
Ligand-Target Pair