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BDBM266828 US9718790, I-2565

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

InChI Key: InChIKey=FFUJKHYKPARNEJ-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 = 266828   
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))
BDBM266828
PNG
(US9718790, I-2565)
Show SMILES NC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ncccn3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H20ClN7O4/c24-16-4-2-15(3-5-16)14-31-20(29-22(33)30(23(31)34)13-10-19(25)32)28-17-6-8-18(9-7-17)35-21-26-11-1-12-27-21/h1-9,11-12H,10,13-14H2,(H2,25,32)(H,28,29,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 17n/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