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PubMed code 15317453

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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 1


(Rattus norvegicus)		BDBM50370497
PNG
(CHEMBL611086)
Show SMILES BP(O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H19BN5O12P3/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-19,29H,1,11H2,(H,23,24)(H2,12,13,14)(H2,20,21,22)/t4-,6-,7-,10?/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM2
PNG
(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(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 590n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50370496
PNG
(CHEMBL610595)
Show SMILES BP(O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H18BClN5O12P3/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/h2-3,5-6,9,18-20,30H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9?/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
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50410192
PNG
(CHEMBL2093074)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CO[P@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?,30+/m1/s1
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n/an/an/an/a 9.40n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50370497
PNG
(CHEMBL611086)
Show SMILES BP(O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H19BN5O12P3/c11-29(19,27-31(23,24)28-30(20,21)22)25-1-4-6(17)7(18)10(26-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-19,29H,1,11H2,(H,23,24)(H2,12,13,14)(H2,20,21,22)/t4-,6-,7-,10?/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
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50118232
PNG
(2-MeSATP | ATP, 2-meS | CHEMBL336208)
Show SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50267999
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H20BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t4-,6-,7-,10-,30?/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50410189
PNG
(CHEMBL2093075)
Show SMILES CSc1nc(N)c2ncn(C3O[C@H](CO[P@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H18N5O12P3S2/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(26-10)2-25-31(24,32)28-30(22,23)27-29(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,32)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?,31+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50370496
PNG
(CHEMBL610595)
Show SMILES BP(O)(OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)nc(Cl)nc12)OP(O)(=O)OP(O)(O)=O |r|
Show InChI InChI=1S/C10H18BClN5O12P3/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/h2-3,5-6,9,18-20,30H,1,11H2,(H,24,25)(H2,13,15,16)(H2,21,22,23)/t3-,5-,6-,9?/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
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50267999
PNG
(({[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-...)
Show SMILES [BH3-]P(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(SC)nc12)OP([O-])(=O)OP([O-])([O-])=O |r|
Show InChI InChI=1S/C11H20BN5O12P3S/c1-33-11-15-8(13)5-9(16-11)17(3-14-5)10-7(19)6(18)4(27-10)2-26-30(12,20)28-32(24,25)29-31(21,22)23/h3-4,6-7,10,18-19H,2H2,1,12H3,(H,24,25)(H2,13,15,16)(H2,21,22,23)/q-1/p-3/t4-,6-,7-,10-,30?/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50410190
PNG
(CHEMBL2092818)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](CO[P@@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?,30-/m1/s1
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n/an/an/an/a 75n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Rattus norvegicus)		BDBM50410191
PNG
(CHEMBL2092819)
Show SMILES CSc1nc(N)c2ncn(C3O[C@H](CO[P@@](O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H18N5O12P3S2/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(26-10)2-25-31(24,32)28-30(22,23)27-29(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,32)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?,31-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells

J Med Chem 47: 4405-16 (2004)


Article DOI: 10.1021/jm049771u
BindingDB Entry DOI: 10.7270/Q2PC334S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%