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BDBM50256760 9-(4,5-Dimethoxy-2-nitro-benzyloxy)-13-ethyl-2,3,10-trimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium iodide::CHEMBL508761

SMILES: CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(OC)c(OC)cc3[N+]([O-])=O)c(OC)ccc12

InChI Key: InChIKey=ZLYTXJFHXMDNBK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50256760   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50256760
PNG
(9-(4,5-Dimethoxy-2-nitro-benzyloxy)-13-ethyl-2,3,1...)
Show SMILES CCc1c2-c3cc(OC)c(OC)cc3CC[n+]2cc2c(OCc3cc(OC)c(OC)cc3[N+]([O-])=O)c(OC)ccc12
Show InChI InChI=1S/C31H33N2O8/c1-7-20-21-8-9-25(36-2)31(41-17-19-13-27(38-4)29(40-6)15-24(19)33(34)35)23(21)16-32-11-10-18-12-26(37-3)28(39-5)14-22(18)30(20)32/h8-9,12-16H,7,10-11,17H2,1-6H3/q+1
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



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 fluorescent ethidium accumulation

Bioorg Med Chem Lett 19: 954-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.088
BindingDB Entry DOI: 10.7270/Q23T9H3S
More data for this
Ligand-Target Pair