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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y2' and Ligand = 'BDBM50336801'   
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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50336801
PNG
(CHEMBL1672100 | Sodium1-Amino-4-(3-benzylphenylami...)
Show SMILES Nc1c(cc(Nc2cccc(Cc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C27H20N2O5S/c28-25-22(35(32,33)34)15-21(23-24(25)27(31)20-12-5-4-11-19(20)26(23)30)29-18-10-6-9-17(14-18)13-16-7-2-1-3-8-16/h1-12,14-15,29H,13,28H2,(H,32,33,34)/p-1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assay


J Med Chem 54: 817-30 (2012)


Article DOI: 10.1021/jm1012193
More data for this
Ligand-Target Pair