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BDBM196354 US9212130, I-274

SMILES: COc1ccc(cn1)C(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=XARRKDFAEBEYLC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 196354   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (Human))
BDBM196354
PNG
(US9212130, I-274)
Show SMILES COc1ccc(cn1)C(=O)Nc1cnc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H25ClFN5O4/c1-16(2)38-23-10-9-20(12-21(23)29)32-27-31-14-22(33-25(35)18-6-11-24(37-3)30-13-18)26(36)34(27)15-17-4-7-19(28)8-5-17/h4-14,16H,15H2,1-3H3,(H,31,32)(H,33,35)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 66n/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 US9212130 (2015)


BindingDB Entry DOI: 10.7270/Q2BG2MS2
More data for this
Ligand-Target Pair