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BDBM50446064 CHEMBL3103381

SMILES: OC1CCC(CC1)NC(=O)N1c2ccccc2C=Cc2ccccc12

InChI Key: InChIKey=KTHQHFARVNXTDO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50446064   
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 4


(Homo sapiens (Human))		BDBM50446064
PNG
(CHEMBL3103381)
Show SMILES OC1CCC(CC1)NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:19,(21.37,-14.54,;21.38,-13,;20.05,-12.22,;20.05,-10.69,;21.4,-9.92,;22.72,-10.69,;22.72,-12.23,;21.4,-8.38,;20.07,-7.61,;18.74,-8.38,;20.07,-6.1,;18.71,-5.44,;17.58,-6.49,;16.11,-6.03,;15.76,-4.51,;16.9,-3.46,;18.37,-3.93,;19.33,-2.74,;20.87,-2.75,;21.82,-3.95,;23.27,-3.51,;24.39,-4.56,;24.04,-6.07,;22.56,-6.49,;21.45,-5.44,)|
Show InChI InChI=1S/C21H22N2O2/c24-18-13-11-17(12-14-18)22-21(25)23-19-7-3-1-5-15(19)9-10-16-6-2-4-8-20(16)23/h1-10,17-18,24H,11-14H2,(H,22,25)
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Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate...

Bioorg Med Chem 22: 1077-88 (2014)


Article DOI: 10.1016/j.bmc.2013.12.035
BindingDB Entry DOI: 10.7270/Q21R6S09
More data for this
Ligand-Target Pair