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BDBM265989 US9718790, I-1348

SMILES: C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc3nc(C)c(C)nc3c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O

InChI Key: InChIKey=OKKVSPGAMNGYQK-UGPWUYPHNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 265989   
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))
BDBM265989
PNG
(US9718790, I-1348)
Show SMILES C[C@@H](Cn1c(=O)[nH]\c(=N/c2ccc3nc(C)c(C)nc3c2)n(Cc2ccc(Cl)cc2)c1=O)C(O)=O
Show InChI InChI=1/C24H23ClN6O4/c1-13(21(32)33)11-31-23(34)29-22(30(24(31)35)12-16-4-6-17(25)7-5-16)28-18-8-9-19-20(10-18)27-15(3)14(2)26-19/h4-10,13H,11-12H2,1-3H3,(H,32,33)(H,28,29,34)/t13-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 918n/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