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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 = 'BDBM266577'   
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))
BDBM266577
PNG
(US9718790, I-2309)
Show SMILES CNC(=O)c1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C3CC3)c(=O)n2Cc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C26H23ClN6O4/c1-28-23(34)22-14-21(12-13-29-22)37-20-10-6-18(7-11-20)30-24-31-25(35)33(19-8-9-19)26(36)32(24)15-16-2-4-17(27)5-3-16/h2-7,10-14,19H,8-9,15H2,1H3,(H,28,34)(H,30,31,35)
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