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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 6' and Ligand = 'BDBM50523526'   
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 6


(Homo sapiens (Human))
BDBM50523526
PNG
(CHEMBL3606064)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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n/an/an/an/a 203n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as induction of calcium mobilization by calcium-4 dye based FLIPR as...


J Med Chem 62: 3677-3695 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00164
BindingDB Entry DOI: 10.7270/Q2M61PNF
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50523526
PNG
(CHEMBL3606064)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 203n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by FLIPR method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))
BDBM50523526
PNG
(CHEMBL3606064)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H15FN2O11P2/c11-4-1-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)2-23-26(21,22)3-25(18,19)20/h1,5-7,9,14-15H,2-3H2,(H,21,22)(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 203n/an/an/an/a


TBA

Assay Description
Agonist activity at human P2Y6R expressed in 1321N1 cells assessed as calcium mobilization measured by microplate reader method


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128137
BindingDB Entry DOI: 10.7270/Q27P935K
More data for this
Ligand-Target Pair