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BDBM366061 US9873683, Example 66

SMILES: O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccco2)c2ccc3ccccc3c2N1

InChI Key: InChIKey=VDTFWATVWRGXHS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 366061   
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))
BDBM366061
PNG
(US9873683, Example 66)
Show SMILES O=C1CC(=O)N(c2ccc(cc2)-n2ccnc2CCc2ccco2)c2ccc3ccccc3c2N1
Show InChI InChI=1S/C28H22N4O3/c33-26-18-27(34)32(24-13-7-19-4-1-2-6-23(19)28(24)30-26)21-10-8-20(9-11-21)31-16-15-29-25(31)14-12-22-5-3-17-35-22/h1-11,13,15-17H,12,14,18H2,(H,30,33)
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PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

US Patent


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...


US Patent US9873683 (2018)


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