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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM266378'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2X purinoceptor 3


(Homo sapiens (human))
BDBM266378
PNG
(US9718790, I-2230)
Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C25H21ClN6O3/c1-2-13-31-24(33)30-23(32(25(31)34)16-17-3-5-18(26)6-4-17)29-19-7-10-21(11-8-19)35-22-12-9-20(14-27)28-15-22/h3-12,15H,2,13,16H2,1H3,(H,29,30,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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