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SMILES: Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1

InChI Key: InChIKey=XYMGQTPQOTZSKA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366069   
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))		BDBM366069
PNG
(US9873683, Example 79)
Show SMILES Fc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C29H25FN4O2/c30-21-5-1-3-19(17-21)7-14-26-31-15-16-33(26)22-9-11-23(12-10-22)34-25-13-8-20-4-2-6-24(20)29(25)32-27(35)18-28(34)36/h1,3,5,8-13,15-17H,2,4,6-7,14,18H2,(H,32,35)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a 39n/an/an/an/an/an/a



Duquesne University



Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37° C. and 5% CO2 for 24 hour...

J Med Chem 51: 68-76 (2008)


BindingDB Entry DOI: 10.7270/Q2MW2KFS
More data for this
Ligand-Target Pair