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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM366057'   
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 4


(Homo sapiens (Human))		BDBM366057
PNG
(US9873683, Example 61)
Show SMILES COc1cccc(CCc2nccn2-c2ccc(cc2)N2c3ccc4CCCc4c3NC(=O)CC2=O)c1
Show InChI InChI=1S/C30H28N4O3/c1-37-24-6-2-4-20(18-24)8-15-27-31-16-17-33(27)22-10-12-23(13-11-22)34-26-14-9-21-5-3-7-25(21)30(26)32-28(35)19-29(34)36/h2,4,6,9-14,16-18H,3,5,7-8,15,19H2,1H3,(H,32,35)
KEGG

UniProtKB/SwissProt

DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 74n/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