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BDBM246687 US9550763, Compound I-340

SMILES: CC(C)n1c(=O)cc(Nc2ccc(Oc3cccc(c3)C#N)c(C)n2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=FGNDFAVEMOVFJM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 246687   
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))
BDBM246687
PNG
(US9550763, Compound I-340)
Show SMILES CC(C)n1c(=O)cc(Nc2ccc(Oc3cccc(c3)C#N)c(C)n2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H24ClN5O3/c1-17(2)33-26(34)14-25(32(27(33)35)16-19-7-9-21(28)10-8-19)31-24-12-11-23(18(3)30-24)36-22-6-4-5-20(13-22)15-29/h4-14,17H,16H2,1-3H3,(H,30,31)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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