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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 = 'BDBM50499845'   
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))		BDBM50499845
PNG
(CHEMBL3741881)
Show SMILES Fc1cc(Cl)ccc1C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C31H25ClFN5O6S/c32-22-6-9-25(26(33)16-22)30(40)37-14-12-36(13-15-37)29-17-28(39)35-31(41)38(29)19-20-4-7-23(8-5-20)44-45(42,43)27-3-1-2-21-18-34-11-10-24(21)27/h1-11,16-18H,12-15,19H2,(H,35,39,41)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 166n/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