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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 = 'BDBM271788'   
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))
BDBM271788
PNG
(US10065941, Compound R-099 | US9732060, Compound R...)
Show SMILES COC(=O)[C@@H](C)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C27H23ClN6O5/c1-17(24(35)38-2)15-34-26(36)32-25(33(27(34)37)16-18-3-5-19(28)6-4-18)31-20-7-9-22(10-8-20)39-23-11-12-30-21(13-23)14-29/h3-13,17H,15-16H2,1-2H3,(H,31,32,36)/t17-/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