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BDBM50306706 ((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl trihydrogen diphosphate::CHEMBL590738

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

InChI Key: InChIKey=JNRBLCLWOFKVDV-JXOAFFINSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50306706   
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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50306706
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methoxy-2,4-diox...)
Show SMILES COc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N2O13P2/c1-22-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(24-9)3-23-27(20,21)25-26(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,20,21)(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
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Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as calcium elevation by fura2/AM assay


J Med Chem 53: 1673-85 (2010)


Article DOI: 10.1021/jm901450d
BindingDB Entry DOI: 10.7270/Q2ZW1MWR
More data for this
Ligand-Target Pair