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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 = 'BDBM50336800'   
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))
BDBM50336800
PNG
(CHEMBL1672101 | Sodium 1-Amino-4-(3-phenoxyphenyla...)
Show SMILES Nc1c(cc(Nc2cccc(Oc3ccccc3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C26H18N2O6S/c27-24-21(35(31,32)33)14-20(22-23(24)26(30)19-12-5-4-11-18(19)25(22)29)28-15-7-6-10-17(13-15)34-16-8-2-1-3-9-16/h1-14,28H,27H2,(H,31,32,33)/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