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BDBM244279 US9550763, Compound I-027

SMILES: CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(N)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=KUDRFQHVSHUKDS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 244279   
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))
BDBM244279
PNG
(US9550763, Compound I-027)
Show SMILES CCn1c(=O)cc(Nc2ccc(Oc3cccc(n3)C(N)=O)c(C)c2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C26H24ClN5O4/c1-3-31-24(33)14-22(32(26(31)35)15-17-7-9-18(27)10-8-17)29-19-11-12-21(16(2)13-19)36-23-6-4-5-20(30-23)25(28)34/h4-14,29H,3,15H2,1-2H3,(H2,28,34)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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