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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 7' and Ligand = 'BDBM50370298'   
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))		BDBM50370298
PNG
(CHEMBL4173050)
Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)C1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
Show InChI InChI=1S/C33H27ClF3N3O6S/c34-27-9-6-21(17-26(27)33(35,36)37)32(43)40-14-11-20(12-15-40)29-25(30(41)39-31(29)42)16-19-4-7-23(8-5-19)46-47(44,45)28-3-1-2-22-18-38-13-10-24(22)28/h1-10,13,17-18,20,25,29H,11-12,14-16H2,(H,39,41,42)
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Article
PubMed
n/an/a 54n/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 expressed in HEK293 cells assessed as inhibition of BzATP-induced EtBr uptake

Eur J Med Chem 151: 462-481 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.023
BindingDB Entry DOI: 10.7270/Q2S75JWB
More data for this
Ligand-Target Pair