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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y2' and Ligand = 'BDBM50306712'   
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))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
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UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.9n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50306712
PNG
(((1R,2R,3S,4R,5S)-4-(2,4-dioxo-3,4-dihydropyrimidi...)
Show SMILES O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C[C@@H]2[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N2O14P3/c14-6-1-2-13(10(17)12-6)7-5-3-11(5,9(16)8(7)15)4-25-29(21,22)27-30(23,24)26-28(18,19)20/h1-2,5,7-9,15-16H,3-4H2,(H,21,22)(H,23,24)(H,12,14,17)(H2,18,19,20)/t5-,7-,8+,9+,11+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15.9n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Measure of Agonist Potency at human P2Y purinoceptor 2 (hP2Y2) stably expressed in 131N1 astrocytoma cell


J Med Chem 45: 208-18 (2001)


Article DOI: 10.1021/jm010369e
BindingDB Entry DOI: 10.7270/Q2JS9R58
More data for this
Ligand-Target Pair