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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 = 'BDBM50499849'   
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))		BDBM50499849
PNG
(CHEMBL3742021)
Show SMILES O=C(CC1CCCCC1)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C32H35N5O6S/c38-29-20-30(35-15-17-36(18-16-35)31(39)19-23-5-2-1-3-6-23)37(32(40)34-29)22-24-9-11-26(12-10-24)43-44(41,42)28-8-4-7-25-21-33-14-13-27(25)28/h4,7-14,20-21,23H,1-3,5-6,15-19,22H2,(H,34,38,40)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 107n/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 ethidium ion uptake after 2 hrs

Eur J Med Chem 106: 180-93 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.036
BindingDB Entry DOI: 10.7270/Q2RR227R
More data for this
Ligand-Target Pair