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BDBM266814 US9718790, I-2550

SMILES: CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=PVNFXIUWMAKDNO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 266814   
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 3


(Homo sapiens (Human))
BDBM266814
PNG
(US9718790, I-2550)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H23ClN6O5/c1-2-36-21(33)12-15-31-24(34)30-22(32(25(31)35)16-17-4-6-18(26)7-5-17)29-19-8-10-20(11-9-19)37-23-27-13-3-14-28-23/h3-11,13-14H,2,12,15-16H2,1H3,(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 4n/an/an/an/a7.5n/a



Shionogi & Co., Ltd

US Patent


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


US Patent US9718790 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q22809KB
More data for this
Ligand-Target Pair