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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 = 'BDBM271655'   
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))
BDBM271655
PNG
(US10065941, Compound R-003 | US9732060, Compound R...)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(Oc2ccc(cc2)\N=c2/[nH]c(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C28H20ClN5O5/c29-21-7-4-17(5-8-21)16-34-26(32-27(37)33-28(34)38)31-22-9-11-23(12-10-22)39-24-13-6-20(15-30-24)18-2-1-3-19(14-18)25(35)36/h1-15H,16H2,(H,35,36)(H2,31,32,33,37,38)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/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 US9732060 (2017)

More data for this
Ligand-Target Pair