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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 = 'BDBM50371572'   
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))		BDBM50371572
PNG
(CHEMBL406266)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/p-4/t7-,8+,11-,12+,13-,14+,15-,16+
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Similars
Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay

J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair