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BDBM244317 US9550763, Compound I-065

SMILES: CC(=O)Nc1cnc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=KBXHEERZEFDLEZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244317   
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))
BDBM244317
PNG
(US9550763, Compound I-065)
Show SMILES CC(=O)Nc1cnc(Nc2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C22H18ClN5O4/c1-14(29)25-19-12-24-22(28(21(19)30)13-15-2-4-16(23)5-3-15)26-17-6-8-18(9-7-17)32-20-10-11-31-27-20/h2-12H,13H2,1H3,(H,24,26)(H,25,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 99n/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