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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 = 'BDBM266515'   
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))
BDBM266515
PNG
(US9718790, I-2281)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cnc(nc3)C#N)cc2)n(Cc2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C23H18ClN7O3/c1-2-30-22(32)29-21(31(23(30)33)14-15-3-5-16(24)6-4-15)28-17-7-9-18(10-8-17)34-19-12-26-20(11-25)27-13-19/h3-10,12-13H,2,14H2,1H3,(H,28,29,32)
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