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BDBM266456 US9718790, I-2258

SMILES: CCn1c(=O)n(Cc2ccc(Cl)cc2)\c(=N\c2ccc(Oc3ccnc(O)c3)cc2)[nH]c1=S

InChI Key: InChIKey=KGBYCFCKZMFMSL-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 266456   
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))
BDBM266456
PNG
(US9718790, I-2258)
Show SMILES CCn1c(=O)n(Cc2ccc(Cl)cc2)\c(=N\c2ccc(Oc3ccnc(O)c3)cc2)[nH]c1=S
Show InChI InChI=1S/C23H20ClN5O3S/c1-2-28-22(33)27-21(29(23(28)31)14-15-3-5-16(24)6-4-15)26-17-7-9-18(10-8-17)32-19-11-12-25-20(30)13-19/h3-13H,2,14H2,1H3,(H,25,30)(H,26,27,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3n/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