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BDBM244708 US9550763, Compound I-166

SMILES: CCCn1c(=O)cc(Nc2ccc(Oc3cccc(c3)C(=O)OCC)cn2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=BMGBHHWKELXUAJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244708   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM244708
PNG
(US9550763, Compound I-166)
Show SMILES CCCn1c(=O)cc(Nc2ccc(Oc3cccc(c3)C(=O)OCC)cn2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C28H27ClN4O5/c1-3-14-32-26(34)16-25(33(28(32)36)18-19-8-10-21(29)11-9-19)31-24-13-12-23(17-30-24)38-22-7-5-6-20(15-22)27(35)37-4-2/h5-13,15-17H,3-4,14,18H2,1-2H3,(H,30,31)
PDB

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PC cid
PC sid
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US Patent
n/an/a 169n/an/an/an/a7.5n/a



Shionogi & Co., Ltd

US Patent


Assay Description
Stably expressing cell line (C6BU-1 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...


US Patent US9550763 (2017)


BindingDB Entry DOI: 10.7270/Q2V126TQ
More data for this
Ligand-Target Pair