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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 = 'BDBM266762'   
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))
BDBM266762
PNG
(US9718790, I-2497)
Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C(N)=O)cc2)n(C[C@H]2CC[C@H](C)CC2)c1=O
Show InChI InChI=1S/C25H30N6O4/c1-3-30-24(33)29-23(31(25(30)34)15-17-9-7-16(2)8-10-17)27-18-11-13-19(14-12-18)35-21-6-4-5-20(28-21)22(26)32/h4-6,11-14,16-17H,3,7-10,15H2,1-2H3,(H2,26,32)(H,27,29,33)/t16-,17-
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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