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BDBM244295 US9550763, Compound I-043

SMILES: CCOC(=O)c1cnc(Nc2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=WTESPEZVKMVYFZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244295   
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))
BDBM244295
PNG
(US9550763, Compound I-043)
Show SMILES CCOC(=O)c1cnc(Nc2ccc(Oc3cccc(n3)C(N)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H22ClN5O5/c1-2-36-25(35)20-14-29-26(32(24(20)34)15-16-6-8-17(27)9-7-16)30-18-10-12-19(13-11-18)37-22-5-3-4-21(31-22)23(28)33/h3-14H,2,15H2,1H3,(H2,28,33)(H,29,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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