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BDBM266390 US9718790, I-2234

SMILES: CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C(N)=O)c(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=UNIJEBBEDPEKML-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 266390   
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))
BDBM266390
PNG
(US9718790, I-2234)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(C(N)=O)c(F)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClFN5O4/c1-2-31-24(34)30-23(32(25(31)35)14-15-3-5-16(26)6-4-15)29-17-7-9-18(10-8-17)36-19-11-12-20(22(28)33)21(27)13-19/h3-13H,2,14H2,1H3,(H2,28,33)(H,29,30,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/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)

More data for this
Ligand-Target Pair