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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 = 'BDBM50499855'   
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))		BDBM50499855
PNG
(CHEMBL3741405)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 |TLB:10:9:4.3.2:7,THB:10:3:7:9.8.11,11:9:4:2.1.7,11:1:4:9.8.10,12:9:4.3.2:7,0:1:4:9.8.10|
Show InChI InChI=1S/C37H41N5O6S/c1-35-17-26-18-36(2,22-35)24-37(19-26,23-35)33(44)41-14-12-40(13-15-41)32-16-31(43)39-34(45)42(32)21-25-6-8-28(9-7-25)48-49(46,47)30-5-3-4-27-20-38-11-10-29(27)30/h3-11,16,20,26H,12-15,17-19,21-24H2,1-2H3,(H,39,43,45)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 252n/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