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SMILES: COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cc(OC)c(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

InChI Key: InChIKey=OIQNHQYHXLYPKB-WATVCZEXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50421167   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421167
PNG
(CHEMBL2086767)
Show SMILES COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cc(OC)c(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H29N4O22P3/c1-39-7-3-23(19(31)21-15(7)29)17-13(27)11(25)9(43-17)5-41-47(33,34)45-49(37,38)46-48(35,36)42-6-10-12(26)14(28)18(44-10)24-4-8(40-2)16(30)22-20(24)32/h3-4,9-14,17-18,25-28H,5-6H2,1-2H3,(H,33,34)(H,35,36)(H,37,38)(H,21,29,31)(H,22,30,32)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y6 receptor expressed in human 1321N1 cells assessed as intracellular calcium mobilization by fura2/AM-based f...

Bioorg Med Chem 20: 5483-95 (2012)


Article DOI: 10.1016/j.bmc.2012.07.042
BindingDB Entry DOI: 10.7270/Q21837S1
More data for this
Ligand-Target Pair