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PubMed code 24900736

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))		BDBM50437329
PNG
(CHEMBL2407630)
Show SMILES O=C(NC1(C2CC3CC(C2)CC1C3)C(=O)NC1CC1)c1ccccc1 |TLB:2:3:5.6.12:9.8.10,2:3:5:9.8.7,13:3:5:9.8.7,THB:13:3:5.6.12:9.8.10,7:6:3:9.8.10,7:8:3:5.6.12,10:11:5:9.8.7,10:8:5:3.12.11,(22.9,-26.25,;22.14,-24.91,;20.6,-24.91,;19.84,-23.58,;18.44,-23.02,;16.93,-23.44,;18.13,-22.16,;18.12,-20.68,;19.47,-20.2,;18.43,-21.43,;20.87,-20.78,;20.86,-22.31,;19.46,-22.65,;19.06,-24.9,;19.83,-26.24,;17.52,-24.9,;16.75,-26.23,;15.41,-27.01,;16.74,-27.78,;22.91,-23.58,;24.45,-23.6,;25.23,-22.27,;24.46,-20.93,;22.91,-20.93,;22.14,-22.26,)|
Show InChI InChI=1S/C21H26N2O2/c24-19(15-4-2-1-3-5-15)23-21(20(25)22-18-6-7-18)16-9-13-8-14(11-16)12-17(21)10-13/h1-5,13-14,16-18H,6-12H2,(H,22,25)(H,23,24)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Antagonist activity at P2X7 in Sprague-Dawley rat synaptosome assessed as inhibition of BzATP-induced [3H]D-aspartate efflux compound preincubated fo...

ACS Med Chem Lett 4: 704-9 (2013)


Article DOI: 10.1021/ml400079h
BindingDB Entry DOI: 10.7270/Q2JQ12DD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%