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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 = 'BDBM271711'   
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))
BDBM271711
PNG
(US10065941, Compound R-032 | US9732060, Compound R...)
Show SMILES COc1cc(Oc2ccc(cc2)\N=c2/[nH]c(=O)n(C[C@H](C)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)ccn1
Show InChI InChI=1S/C26H24ClN5O6/c1-16(23(33)34)14-32-25(35)30-24(31(26(32)36)15-17-3-5-18(27)6-4-17)29-19-7-9-20(10-8-19)38-21-11-12-28-22(13-21)37-2/h3-13,16H,14-15H2,1-2H3,(H,33,34)(H,29,30,35)/t16-/m0/s1
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