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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM50496862'   
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
P2Y purinoceptor 2


(Homo sapiens (Human))
BDBM50496862
PNG
(CHEMBL3220051)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCc2cccc(c2)C#CCCC#C)[nH]c1=O |r|
Show InChI InChI=1S/C22H25N3O12P2/c1-2-3-4-5-7-15-8-6-9-16(12-15)13-34-24-18-10-11-25(22(28)23-18)21-20(27)19(26)17(36-21)14-35-39(32,33)37-38(29,30)31/h1,6,8-12,17,19-21,26-27H,3-4,13-14H2,(H,32,33)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/m1/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.90E+3n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...


Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair