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Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'nadel' and Initial = 'y'   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019296
PNG
(CHEMBL3289396)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-28(19,20)4-29(21,22)27-30(23,24)31/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,31)/t5-,7-,8-,11-/m1/s1
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 20n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019294
PNG
(CHEMBL3289394)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32+/m1/s1
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 685n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019292
PNG
(CHEMBL3289393)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30-/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019291
PNG
(CHEMBL3289392)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30+/m1/s1
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 4.50E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate assessed as dissociation constant for enzyme-inhibitor-substrate complex after 20 mins...

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019291
PNG
(CHEMBL3289392)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30+/m1/s1
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 4.50E+3n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019295
PNG
(CHEMBL3289395)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32-/m1/s1
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 1.52E+4n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019295
PNG
(CHEMBL3289395)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32-/m1/s1
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 1.92E+5n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate assessed as dissociation constant for enzyme-inhibitor-substrate complex after 20 mins...

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019296
PNG
(CHEMBL3289396)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-28(19,20)4-29(21,22)27-30(23,24)31/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,31)/t5-,7-,8-,11-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019294
PNG
(CHEMBL3289394)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019291
PNG
(CHEMBL3289392)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30+/m1/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019292
PNG
(CHEMBL3289393)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O11P3S/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(26-11)1-25-30(24,31)27-29(22,23)4-28(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,31)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-,30-/m1/s1
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n/an/a 1.87E+4n/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))		BDBM50019295
PNG
(CHEMBL3289395)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=S)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H16Cl2N5O11P3S/c12-11(13,30(21,22)23)31(24,25)29-32(26,33)27-1-4-6(19)7(20)10(28-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,33)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-,32-/m1/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Mixed type inhibition of human NPP1 using pNP-TMP as substrate after 20 mins by Dixon and Cornish-Bowden method

J Med Chem 57: 4677-91 (2014)


Article DOI: 10.1021/jm500196c
BindingDB Entry DOI: 10.7270/Q2QN68C6
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50114076
PNG
(CHEMBL3604024)
Show SMILES [Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OS([O-])(=O)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13N2O12PS.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-24(16,17)23-25(18,19)20;;/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
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n/an/a 1.12E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as inhibition of UDP-induced increase in intracellula...

Bioorg Med Chem 23: 5764-73 (2015)


Article DOI: 10.1016/j.bmc.2015.07.004
BindingDB Entry DOI: 10.7270/Q2PR7XR3
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421169
PNG
(CHEMBL2086770)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(S)=O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O11P2S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(21-8)3-20-23(16,17)22-24(18,19)25/h1-2,4,6-8,13-14H,3H2,(H,16,17)(H,10,12,15)(H2,18,19,25)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y6 receptor

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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as inositol phosphate accumulation

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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50306710
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2,4-dioxo-3...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cc(I)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H13IN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at P2Y6 receptor expressed in human 1321N1 cells assessed as inositol phosphate accumulation

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
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50435007
PNG
(CHEMBL2386493)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,30-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at rat brain P2Y1R transfected in HEK293 cells assessed as induction of intracellular calcium mobilization by fluorescence assay

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50435008
PNG
(CHEMBL2386496)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C11H16BCl3N5O11P3/c12-34(28,31-33(26,27)11(14,15)32(23,24)25)29-1-3-5(21)6(22)9(30-3)20-2-17-4-7(16)18-10(13)19-8(4)20/h2-3,5-6,9,21-22H,1,12H2,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t3-,5-,6-,9-,34+/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50435009
PNG
(CHEMBL2386495)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C11H16BCl3N5O11P3/c12-34(28,31-33(26,27)11(14,15)32(23,24)25)29-1-3-5(21)6(22)9(30-3)20-2-17-4-7(16)18-10(13)19-8(4)20/h2-3,5-6,9,21-22H,1,12H2,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t3-,5-,6-,9-,34-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50435010
PNG
(CHEMBL2386492)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H15BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,27+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50435011
PNG
(CHEMBL2386491)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,11H3,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1
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n/an/an/an/a 3.68E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50398070
PNG
(CHEMBL2181938)
Show SMILES [BH3-][P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26+/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50435012
PNG
(CHEMBL2386490)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H](O)[C@H]3OC(=O)c3ccccc3)c2n1 |r|
Show InChI InChI=1S/C18H21N5O11P2S/c1-37-18-21-14(19)11-15(22-18)23(8-20-11)16-13(33-17(25)9-5-3-2-4-6-9)12(24)10(32-16)7-31-36(29,30)34-35(26,27)28/h2-6,8,10,12-13,16,24H,7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t10-,12+,13-,16-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1.70E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))		BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 6.70E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresc...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435013
PNG
(CHEMBL2386499)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O21P5/c21-53(36,45-1-7-11(32)13(34)19(47-7)30-5-28-9-15(22)24-3-26-17(9)30)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(33)14(35)20(48-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2,21H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,22,24,26)(H2,23,25,27)/t7-,8-,11-,12-,13-,14-,19-,20-,53+/m1/s1
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435014
PNG
(CHEMBL2386498)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O21P5/c21-53(36,45-1-7-11(32)13(34)19(47-7)30-5-28-9-15(22)24-3-26-17(9)30)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(33)14(35)20(48-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2,21H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,22,24,26)(H2,23,25,27)/t7-,8-,11-,12-,13-,14-,19-,20-,53-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435015
PNG
(CHEMBL2386497)
Show SMILES BP(=O)(OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H30BN10O21P5/c21-53(36,49-56(41,42)51-54(37,38)45-1-7-11(32)13(34)19(47-7)30-5-28-9-15(22)24-3-26-17(9)30)50-57(43,44)52-55(39,40)46-2-8-12(33)14(35)20(48-8)31-6-29-10-16(23)25-4-27-18(10)31/h3-8,11-14,19-20,32-35H,1-2,21H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,22,24,26)(H2,23,25,27)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435008
PNG
(CHEMBL2386496)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C11H16BCl3N5O11P3/c12-34(28,31-33(26,27)11(14,15)32(23,24)25)29-1-3-5(21)6(22)9(30-3)20-2-17-4-7(16)18-10(13)19-8(4)20/h2-3,5-6,9,21-22H,1,12H2,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t3-,5-,6-,9-,34+/m1/s1
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n/an/an/an/a 950n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435009
PNG
(CHEMBL2386495)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O |r|
Show InChI InChI=1S/C11H16BCl3N5O11P3/c12-34(28,31-33(26,27)11(14,15)32(23,24)25)29-1-3-5(21)6(22)9(30-3)20-2-17-4-7(16)18-10(13)19-8(4)20/h2-3,5-6,9,21-22H,1,12H2,(H,26,27)(H2,16,18,19)(H2,23,24,25)/t3-,5-,6-,9-,34-/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435016
PNG
(CHEMBL2386494)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,30+/m1/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435007
PNG
(CHEMBL2386493)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O12P3/c11-30(20,28-32(24,25)29-31(21,22)23)26-1-3-5(18)6(19)9(27-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,30-/m1/s1
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n/an/an/an/a 74n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435010
PNG
(CHEMBL2386492)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H15BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1,11H2,(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9-,27+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435011
PNG
(CHEMBL2386491)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H16BClN5O9P2/c11-27(20,26-28(21,22)23)24-1-3-5(18)6(19)9(25-3)17-2-14-4-7(13)15-10(12)16-8(4)17/h2-3,5-6,9,18-19H,1H2,11H3,(H2,13,15,16)(H2,21,22,23)/q-1/t3-,5-,6-,9-,27-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50398070
PNG
(CHEMBL2181938)
Show SMILES [BH3-][P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26+/m1/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50398071
PNG
(CHEMBL2181939)
Show SMILES [BH3-][P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C10H17BN5O9P2/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,11H3,(H2,12,13,14)(H2,20,21,22)/q-1/p-2/t4-,6-,7-,10-,26-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50435017
PNG
(CHEMBL437508)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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n/an/an/an/a 760n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50118242
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50366480
PNG
(ADENOSINE TRIPHOSPHATE | ATP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 850n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...

J Med Chem 56: 4938-52 (2013)


Article DOI: 10.1021/jm400197m
BindingDB Entry DOI: 10.7270/Q2Q52R0Q
More data for this
Ligand-Target Pair
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421168
PNG
(CHEMBL2086768)
Show SMILES BP(=O)(OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H30BN4O21P3/c1-39-7-3-24(19(32)22-15(7)30)17-13(28)11(26)9(43-17)5-41-48(35,36)45-47(21,34)46-49(37,38)42-6-10-12(27)14(29)18(44-10)25-4-8(40-2)16(31)23-20(25)33/h3-4,9-14,17-18,26-29H,5-6,21H2,1-2H3,(H,35,36)(H,37,38)(H,22,30,32)(H,23,31,33)/t9-,10-,11-,12-,13-,14-,17-,18-/m1/s1
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n/an/an/an/a 200n/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
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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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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421166
PNG
(CHEMBL2086766)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H30BN4O21P3/c1-39-7-3-24(19(32)22-15(7)30)17-13(28)11(26)9(43-17)5-41-47(21,34)45-49(37,38)46-48(35,36)42-6-10-12(27)14(29)18(44-10)25-4-8(40-2)16(31)23-20(25)33/h3-4,9-14,17-18,26-29H,5-6,21H2,1-2H3,(H,35,36)(H,37,38)(H,22,30,32)(H,23,31,33)/t9-,10-,11-,12-,13-,14-,17-,18-,47+/m1/s1
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n/an/an/an/a 2.20E+3n/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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421165
PNG
(CHEMBL2086765)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C20H30BN4O21P3/c1-39-7-3-24(19(32)22-15(7)30)17-13(28)11(26)9(43-17)5-41-47(21,34)45-49(37,38)46-48(35,36)42-6-10-12(27)14(29)18(44-10)25-4-8(40-2)16(31)23-20(25)33/h3-4,9-14,17-18,26-29H,5-6,21H2,1-2H3,(H,35,36)(H,37,38)(H,22,30,32)(H,23,31,33)/t9-,10-,11-,12-,13-,14-,17-,18-,47-/m1/s1
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n/an/an/an/a 60n/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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421164
PNG
(CHEMBL2086764)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)O[P@](O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H18BN2O15P3/c1-24-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(26-9)3-25-29(11,18)27-31(22,23)28-30(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,22,23)(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,29+/m1/s1
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n/an/an/an/a 2.01E+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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421163
PNG
(CHEMBL2086763)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)O[P@@](O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H18BN2O15P3/c1-24-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(26-9)3-25-29(11,18)27-31(22,23)28-30(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,22,23)(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,29-/m1/s1
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n/an/an/an/a 1.12E+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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421162
PNG
(CHEMBL2086762)
Show SMILES B[P@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H17BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,26+/m1/s1
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n/an/an/an/a 4.30E+3n/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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50421161
PNG
(CHEMBL2086761)
Show SMILES B[P@@](=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(OC)c(=O)[nH]c1=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H17BN2O12P2/c1-22-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(24-9)3-23-26(11,18)25-27(19,20)21/h2,5-7,9,14-15H,3,11H2,1H3,(H,12,16,17)(H2,19,20,21)/t5-,6-,7-,9-,26-/m1/s1
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n/an/an/an/a 8n/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
P2Y purinoceptor 6


(Homo sapiens (Human))		BDBM50403871
PNG
(URIDINE_DIPHOSPHATE)
Show SMILES O[C@@H]1[C@@H](CO[P@](O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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n/an/an/an/a 150n/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
P2Y purinoceptor 4


(Homo sapiens (Human))		BDBM50118213
PNG
(5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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antibodypedia
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
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UniChem

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Article
PubMed
n/an/an/an/a 900n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonist activity at human GFP-tagged P2Y4 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
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