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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 = 'BDBM265753'   
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))
BDBM265753
PNG
(US9718790, I-1990)
Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(CC2CCC(C)CC2)c1=O |(9.96,2.31,;8.62,3.08,;7.29,2.31,;5.96,3.08,;5.96,4.62,;4.62,2.31,;3.29,3.08,;1.95,2.31,;.62,3.08,;.62,4.62,;-.71,2.31,;-.71,.77,;-2.05,,;-3.38,.77,;-3.38,2.31,;-4.71,3.08,;-6.05,2.31,;-7.51,2.79,;-8.42,1.54,;-9.96,1.54,;-7.51,.29,;-6.05,.77,;-4.71,,;.62,,;.62,-1.54,;1.95,-2.31,;1.95,-3.85,;3.29,-4.62,;4.62,-3.85,;5.96,-4.62,;4.62,-2.31,;3.29,-1.54,;1.95,.77,;3.29,,)|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2n/an/an/an/a7.5n/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9718790 (2017)


Article DOI: 10.1021/jm970615f
More data for this
Ligand-Target Pair