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PubMed code 10479295

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


(Meleagris gallopavo)		BDBM50369446
PNG
(CHEMBL611580)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(COP([O-])([S-])=O)C(O)C1O
Show InChI InChI=1S/C18H21N6O8PS2/c19-15-12-16(22-18(21-15)35-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(32-17)7-31-33(29,30)34/h1-4,8,11,13-14,17,25-26H,5-7H2,(H2,19,21,22)(H2,29,30,34)/p-2
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n/an/an/an/a 2.36E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50369449
PNG
(CHEMBL608639)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H23N6O15P3S/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(37-17)7-36-41(32,33)39-42(34,35)38-40(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,35)(H2,19,21,22)(H2,29,30,31)/t11-,13-,14-,17?/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50369450
PNG
(CHEMBL610985)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(CO[P+](O)(O)[O-])C(O)C1O
Show InChI InChI=1S/C18H21N6O9PS/c19-15-12-16(22-18(21-15)35-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(33-17)7-32-34(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H2,19,21,22)(H2,29,30,31)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50369451
PNG
(CHEMBL611286)
Show SMILES Nc1ncnc2n(cnc12)C1O[C@H](COP(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 6.28E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50369452
PNG
(CHEMBL611285)
Show SMILES CCCCCCSc1nc(N)c2ncn(C3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O13P3S/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(32-15)7-31-36(27,28)34-37(29,30)33-35(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,30)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50408723
PNG
(CHEMBL2092793)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O12P3S2/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(31-15)7-30-36(29,37)33-35(27,28)32-34(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,37)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-,36?/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50369445
PNG
(CHEMBL607771)
Show SMILES CCCCCCSc1nc(N)c2ncn(C3O[C@H](COP([O-])([O-])=S)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H26N5O6PS2/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(27-15)7-26-28(24,25)29/h8-9,11-12,15,22-23H,2-7H2,1H3,(H2,17,19,20)(H2,24,25,29)/p-2/t9-,11-,12-,15?/m1/s1
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n/an/an/an/a 2.79E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50118240
PNG
(((2R,3S,4R,5R)-5-(6-amino-2-(hexylthio)-9H-purin-9...)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C16H26N5O7PS/c1-2-3-4-5-6-30-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(28-15)7-27-29(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50408722
PNG
(CHEMBL2092794)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(COP([S-])(=[OH+])OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C18H23N6O14P3S2/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(36-17)7-35-41(34,42)38-40(32,33)37-39(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,42)(H2,19,21,22)(H2,29,30,31)
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n/an/an/an/a 510n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		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 6.35E+3n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50408722
PNG
(CHEMBL2092794)
Show SMILES Nc1nc(SCCc2ccc(cc2)[N+]([O-])=O)nc2n(cnc12)C1OC(COP([S-])(=[OH+])OP(O)(=O)OP(O)(O)=O)C(O)C1O
Show InChI InChI=1S/C18H23N6O14P3S2/c19-15-12-16(22-18(21-15)43-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(36-17)7-35-41(34,42)38-40(32,33)37-39(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H,32,33)(H,34,42)(H2,19,21,22)(H2,29,30,31)
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n/an/an/an/a 510n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)		BDBM50408723
PNG
(CHEMBL2092793)
Show SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C16H28N5O12P3S2/c1-2-3-4-5-6-38-16-19-13(17)10-14(20-16)21(8-18-10)15-12(23)11(22)9(31-15)7-30-36(29,37)33-35(27,28)32-34(24,25)26/h8-9,11-12,15,22-23H,2-7H2,1H3,(H,27,28)(H,29,37)(H2,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-,36?/m1/s1
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n/an/an/an/a 21n/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Agonistic activity for P2Y purinoceptor 1 of turkey erythrocyte membranes

J Med Chem 42: 3636-46 (1999)


Article DOI: 10.1021/jm990158y
BindingDB Entry DOI: 10.7270/Q2G73FD8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%