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BDBM50271187 CHEMBL519835::[dichloro({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl})methyl]phosphonic acid

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S

InChI Key: InChIKey=BAIJAODZQNTGJN-XVFCMESISA-N

Data: 8 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50271187   
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
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 794n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 2.51E+3n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by sc...


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...


Bioorg Med Chem 16: 6319-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.013
BindingDB Entry DOI: 10.7270/Q2K07569
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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Article
PubMed
n/an/an/an/a 7.70E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Reactome pathway
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PubMed
n/an/an/an/a 2.51E+3n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...


Bioorg Med Chem 16: 6319-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.013
BindingDB Entry DOI: 10.7270/Q2K07569
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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PubMed
n/an/an/an/a 90n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...


Bioorg Med Chem 16: 6319-32 (2008)


Article DOI: 10.1016/j.bmc.2008.05.013
BindingDB Entry DOI: 10.7270/Q2K07569
More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50271187
PNG
(CHEMBL519835 | [dichloro({[({[(2R,3S,4R,5R)-3,4-di...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1ccc(=O)[nH]c1=S |r|
Show InChI InChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
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PubMed
n/an/an/an/a 3.85E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)


Article DOI: 10.1021/jm1016297
BindingDB Entry DOI: 10.7270/Q2VT1SFC
More data for this
Ligand-Target Pair