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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 = 'BDBM266895'   
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))
BDBM266895
PNG
(US9718790, I-2636)
Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O
Show InChI InChI=1S/C27H24N6O5/c1-18-3-5-19(6-4-18)17-33-25(31-26(35)32(27(33)36)14-13-24(34)37-2)30-21-8-10-22(11-9-21)38-23-12-7-20(15-28)16-29-23/h3-12,16H,13-14,17H2,1-2H3,(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