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Compile Data Set for Download or QSAR

Found 67 hits from Inspire Pharmaceuticals, Inc.   
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 P2Y12


(Homo sapiens (Human))
BDBM50371580
PNG
(CHEMBL1162175)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371581
PNG
(CHEMBL1162179)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)c1ccccc1
Show InChI InChI=1S/C20H23N6O8P/c1-2-21-20(27)25-16-13-17(23-9-22-16)26(10-24-13)18-15-14(12(32-18)8-31-35(28,29)30)33-19(34-15)11-6-4-3-5-7-11/h3-7,9-10,12,14-15,18-19H,2,8H2,1H3,(H2,28,29,30)(H2,21,22,23,25,27)/t12-,14-,15-,18-,19?/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371580
PNG
(CHEMBL1162175)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2O[C@@H](O[C@@H]12)\C=C\c1ccccc1
Show InChI InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371582
PNG
(CHEMBL1162182)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)NC3CCCC3)ncnc12
Show InChI InChI=1S/C24H29N6O8P/c31-24(28-15-8-4-5-9-15)29-21-18-22(26-12-25-21)30(13-27-18)23-20-19(16(36-23)11-35-39(32,33)34)37-17(38-20)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-17,19-20,23H,4-5,8-11H2,(H2,32,33,34)(H2,25,26,28,29,31)/t16-,17?,19-,20-,23-/m1/s1
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n/an/a 36.2n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371583
PNG
(CHEMBL1162184)
Show SMILES CCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12
Show InChI InChI=1S/C21H25N6O8P/c1-2-22-21(28)26-18-15-19(24-10-23-18)27(11-25-15)20-17-16(13(33-20)9-32-36(29,30)31)34-14(35-17)8-12-6-4-3-5-7-12/h3-7,10-11,13-14,16-17,20H,2,8-9H2,1H3,(H2,29,30,31)(H2,22,23,24,26,28)/t13-,14?,16-,17-,20-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371589
PNG
(CHEMBL1162196)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1
Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371594
PNG
(CHEMBL1162161)
Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371584
PNG
(CHEMBL1162185)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(Cc3ccccc3)O[C@@H]12
Show InChI InChI=1S/C25H33N6O8P/c1-2-3-4-8-11-26-25(32)30-22-19-23(28-14-27-22)31(15-29-19)24-21-20(17(37-24)13-36-40(33,34)35)38-18(39-21)12-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18,20-21,24H,2-4,8,11-13H2,1H3,(H2,33,34,35)(H2,26,27,28,30,32)/t17-,18?,20-,21-,24-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371585
PNG
(CHEMBL1162188)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C25H25N6O8P/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(17(37-24)12-36-40(33,34)35)38-18(39-21)11-15-7-3-1-4-8-15/h1-10,13-14,17-18,20-21,24H,11-12H2,(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18?,20-,21-,24-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371578
PNG
(CHEMBL1162172)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C26H25N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-12,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371577
PNG
(CHEMBL1162173)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)C#Cc1ccccc1
Show InChI InChI=1S/C26H31N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 211n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371579
PNG
(CHEMBL1162171)
Show SMILES CCCCCCNC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1
Show InChI InChI=1S/C26H33N6O8P/c1-2-3-4-8-13-27-26(33)31-23-20-24(29-15-28-23)32(16-30-20)25-22-21(18(38-25)14-37-41(34,35)36)39-19(40-22)12-11-17-9-6-5-7-10-17/h5-7,9-12,15-16,18-19,21-22,25H,2-4,8,13-14H2,1H3,(H2,34,35,36)(H2,27,28,29,31,33)/b12-11+/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 237n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371576
PNG
(CHEMBL1162164)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)C#Cc1ccccc1)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C26H23N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-10,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/t18-,19?,21-,22-,25-/m1/s1
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n/an/a 288n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371593
PNG
(CHEMBL1162159)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2O[C@@H](Cc3ccccc3)O[C@@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C50H50N12O21P4/c63-49(57-31-17-9-3-10-18-31)59-43-37-45(53-25-51-43)61(27-55-37)47-41-39(77-35(79-41)21-29-13-5-1-6-14-29)33(75-47)23-73-84(65,66)81-86(69,70)83-87(71,72)82-85(67,68)74-24-34-40-42(80-36(78-40)22-30-15-7-2-8-16-30)48(76-34)62-28-56-38-44(52-26-54-46(38)62)60-50(64)58-32-19-11-4-12-20-32/h1-20,25-28,33-36,39-42,47-48H,21-24H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,51,53,57,59,63)(H2,52,54,58,60,64)/t33-,34+,35-,36+,39-,40+,41-,42+,47-,48+
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n/an/a 522n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371603
PNG
(CHEMBL1162165)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H38N4O23P4/c39-23-11-13-37(33(41)35-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)38-14-12-24(40)36-34(38)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+
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n/an/a 1.82E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371589
PNG
(CHEMBL1162196)
Show SMILES Nc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@H]4O[C@@H](Cc5ccccc5)O[C@@H]34)n3ccc(=O)[nH]c3=O)[C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)c(=O)n1
Show InChI InChI=1S/C34H39N5O22P4/c35-23-11-13-38(33(41)36-23)31-29-27(55-25(57-29)15-19-7-3-1-4-8-19)21(53-31)17-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-18-22-28-30(32(54-22)39-14-12-24(40)37-34(39)42)58-26(56-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H2,35,36,41)(H,37,40,42)/t21-,22+,25-,26+,27-,28+,29-,30+,31-,32+/m1/s1
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n/an/a 3.06E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371588
PNG
(CHEMBL1162195)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H19N6O8P/c24-12-10(6-30-32(27,28)29)31-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1
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n/an/a 3.11E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371573
PNG
(CHEMBL1162158)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371599
PNG
(CHEMBL1162169)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(Cc3ccccc3)O[C@H]12)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(Cc3ccccc3)O[C@@H]12)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H37N4O20P3/c39-23-11-13-37(33(41)35-23)31-29-27(53-25(55-29)15-19-7-3-1-4-8-19)21(51-31)17-49-59(43,44)57-61(47,48)58-60(45,46)50-18-22-28-30(32(52-22)38-14-12-24(40)36-34(38)42)56-26(54-28)16-20-9-5-2-6-10-20/h1-14,21-22,25-32H,15-18H2,(H,43,44)(H,45,46)(H,47,48)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+
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n/an/a 4.63E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371573
PNG
(CHEMBL1162158)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+
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n/an/a 5.51E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371598
PNG
(CHEMBL1162170)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C28H34N10O19P4/c29-23-17-25(33-9-31-23)37(11-35-17)27-20(40)19(39)14(51-27)7-49-58(41,42)55-60(45,46)57-61(47,48)56-59(43,44)50-8-15-21-22(54-16(53-21)6-13-4-2-1-3-5-13)28(52-15)38-12-36-18-24(30)32-10-34-26(18)38/h1-5,9-12,14-16,19-22,27-28,39-40H,6-8H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H2,29,31,33)(H2,30,32,34)/t14-,15+,16?,19-,20-,21+,22+,27-,28+/m0/s1
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n/an/a 6.54E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371571
PNG
(CHEMBL1162181)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OC(=O)c3ccccc3NC)[C@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H40N6O25P4/c1-35-19-9-5-3-7-17(19)31(45)61-27-22(60-29(26(27)44)39-13-11-23(41)37-33(39)47)16-58-67(51,52)64-69(55,56)65-68(53,54)63-66(49,50)57-15-21-25(43)28(30(59-21)40-14-12-24(42)38-34(40)48)62-32(46)18-8-4-6-10-20(18)36-2/h3-14,21-22,25-30,35-36,43-44H,15-16H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,41,47)(H,38,42,48)/t21-,22+,25-,26+,27+,28-,29+,30-/m0/s1
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n/an/a 7.59E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371570
PNG
(CHEMBL1162162)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H34N4O23P4/c37-21-11-13-35(31(39)33-21)27-25-23(53-29(55-25)17-7-3-1-4-8-17)19(51-27)15-49-60(41,42)57-62(45,46)59-63(47,48)58-61(43,44)50-16-20-24-26(56-30(54-24)18-9-5-2-6-10-18)28(52-20)36-14-12-22(38)34-32(36)40/h1-14,19-20,23-30H,15-16H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,33,37,39)(H,34,38,40)/t19-,20+,23-,24+,25-,26+,27-,28+,29?,30?
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n/an/a 8.29E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371574
PNG
(CHEMBL1162157)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1
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n/an/a 8.68E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371574
PNG
(CHEMBL1162157)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371601
PNG
(CHEMBL1162189)
Show SMILES CCCCCCCC1O[C@H]2[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@@H]4OC(CCCCCCC)O[C@H]34)n3ccc(=O)[nH]c3=O)O[C@@H]([C@H]2O1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H54N4O23P4/c1-3-5-7-9-11-13-25-55-27-21(53-31(29(27)57-25)37-17-15-23(39)35-33(37)41)19-51-62(43,44)59-64(47,48)61-65(49,50)60-63(45,46)52-20-22-28-30(58-26(56-28)14-12-10-8-6-4-2)32(54-22)38-18-16-24(40)36-34(38)42/h15-18,21-22,25-32H,3-14,19-20H2,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,35,39,41)(H,36,40,42)/t21-,22+,25?,26?,27-,28+,29-,30+,31-,32+
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n/an/a 1.07E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371596
PNG
(CHEMBL1162163)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H20N6O11P2/c24-12-10(6-32-36(30,31)34-35(27,28)29)33-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H,30,31)(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1
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n/an/a 1.08E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371592
PNG
(CHEMBL1162205)
Show SMILES OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1ccc(NC(=O)Nc2ccc(F)cc2)nc1=O
Show InChI InChI=1S/C24H24FN4O9P/c25-15-6-8-16(9-7-15)26-23(30)27-18-10-11-29(24(31)28-18)22-21-20(17(36-22)13-35-39(32,33)34)37-19(38-21)12-14-4-2-1-3-5-14/h1-11,17,19-22H,12-13H2,(H2,32,33,34)(H2,26,27,28,30,31)/t17-,19-,20-,21-,22-/m1/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371597
PNG
(CHEMBL1162167)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2cnc3c(N)ncnc23)[C@@H]2OC(Cc3ccccc3)O[C@H]12
Show InChI InChI=1S/C36H40N10O19P4/c37-31-25-33(41-15-39-31)45(17-43-25)35-29-27(59-23(61-29)11-19-7-3-1-4-8-19)21(57-35)13-55-66(47,48)63-68(51,52)65-69(53,54)64-67(49,50)56-14-22-28-30(62-24(60-28)12-20-9-5-2-6-10-20)36(58-22)46-18-44-26-32(38)40-16-42-34(26)46/h1-10,15-18,21-24,27-30,35-36H,11-14H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H2,37,39,41)(H2,38,40,42)/t21-,22+,23?,24?,27-,28+,29-,30+,35-,36+
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n/an/a 1.17E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371590
PNG
(CHEMBL1162197)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3O[C@H](Cc4ccccc4)O[C@H]23)n2ccc(NC(=O)Nc3ccc(F)cc3)nc2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C33H37FN6O23P4/c34-18-6-8-19(9-7-18)35-31(44)36-22-10-12-40(32(45)37-22)30-28-27(59-24(60-28)14-17-4-2-1-3-5-17)21(58-30)16-56-65(49,50)62-67(53,54)63-66(51,52)61-64(47,48)55-15-20-25(42)26(43)29(57-20)39-13-11-23(41)38-33(39)46/h1-13,20-21,24-30,42-43H,14-16H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,38,41,46)(H2,35,36,37,44,45)/t20-,21+,24+,25-,26-,27+,28+,29-,30+/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371575
PNG
(CHEMBL1162166)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@@H]23)c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C25H30N4O23P4/c30-15-6-8-28(24(34)26-15)21-18(33)17(32)13(46-21)10-44-53(36,37)50-55(40,41)52-56(42,43)51-54(38,39)45-11-14-19-20(49-23(48-19)12-4-2-1-3-5-12)22(47-14)29-9-7-16(31)27-25(29)35/h1-9,13-14,17-23,32-33H,10-11H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,26,30,34)(H,27,31,35)/t13-,14+,17-,18-,19-,20+,21-,22+,23?/m0/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371602
PNG
(CHEMBL1162194)
Show SMILES CCCCCCCC1O[C@@H]2[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)n3ccc(=O)[nH]c3=O)O[C@H]([C@@H]2O1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C26H40N4O23P4/c1-2-3-4-5-6-7-18-49-21-15(48-24(22(21)50-18)30-11-9-17(32)28-26(30)36)13-46-55(39,40)52-57(43,44)53-56(41,42)51-54(37,38)45-12-14-19(33)20(34)23(47-14)29-10-8-16(31)27-25(29)35/h8-11,14-15,18-24,33-34H,2-7,12-13H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1
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n/an/a 1.69E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371595
PNG
(CHEMBL1162160)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]2O[C@@H](Cc3ccccc3)O[C@@H]12
Show InChI InChI=1S/C18H21N5O10P2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15-14(31-12(32-15)6-10-4-2-1-3-5-10)11(30-18)7-29-35(27,28)33-34(24,25)26/h1-5,8-9,11-12,14-15,18H,6-7H2,(H,27,28)(H2,19,20,21)(H2,24,25,26)/t11-,12-,14-,15-,18-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371591
PNG
(CHEMBL1162200)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@H]3O[C@@H](Cc4ccccc4)O[C@@H]23)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)Nc2ccc(F)cc2)nc1=O
Show InChI InChI=1S/C33H37FN6O23P4/c34-18-6-8-19(9-7-18)35-31(44)36-22-10-12-39(32(45)37-22)29-26(43)25(42)20(57-29)15-55-64(47,48)61-66(51,52)63-67(53,54)62-65(49,50)56-16-21-27-28(30(58-21)40-13-11-23(41)38-33(40)46)60-24(59-27)14-17-4-2-1-3-5-17/h1-13,20-21,24-30,42-43H,14-16H2,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,38,41,46)(H2,35,36,37,44,45)/t20-,21+,24+,25-,26-,27+,28+,29-,30+/m1/s1
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n/an/a 2.39E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371604
PNG
(CHEMBL1162168)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@@H]23)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C26H32N4O23P4/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(47-23)11-45-54(37,38)51-56(41,42)53-57(43,44)52-55(39,40)46-12-15-21-22(24(48-15)30-9-7-17(32)28-26(30)36)50-18(49-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21-,22+,23-,24+/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371600
PNG
(CHEMBL1162174)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(Cc4ccccc4)O[C@H]23)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C26H31N4O20P3/c31-16-6-8-29(25(35)27-16)23-20(34)19(33)14(45-23)11-43-51(37,38)49-53(41,42)50-52(39,40)44-12-15-21-22(24(46-15)30-9-7-17(32)28-26(30)36)48-18(47-21)10-13-4-2-1-3-5-13/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,27,31,35)(H,28,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1
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n/an/a 3.47E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371587
PNG
(CHEMBL1162190)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)\C=C\c1ccccc1
Show InChI InChI=1S/C19H20N5O7P/c20-17-14-18(22-9-21-17)24(10-23-14)19-16-15(12(29-19)8-28-32(25,26)27)30-13(31-16)7-6-11-4-2-1-3-5-11/h1-7,9-10,12-13,15-16,19H,8H2,(H2,20,21,22)(H2,25,26,27)/b7-6+/t12-,13?,15-,16-,19-/m1/s1
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n/an/a 4.51E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50371586
PNG
(CHEMBL1162187)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]2OC(O[C@@H]12)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N5O7P/c20-17-14-18(22-9-21-17)24(10-23-14)19-16-15(12(29-19)8-28-32(25,26)27)30-13(31-16)7-6-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19H,8H2,(H2,20,21,22)(H2,25,26,27)/t12-,13?,15-,16-,19-/m1/s1
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n/an/a 5.71E+4n/an/an/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50371569
PNG
(CHEMBL1162201)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(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
Show InChI InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)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)(H2,21,23,25)(H2,22,24,26)/t7-,8+,11-,12+,13-,14+,19-,20+
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n/an/an/an/a 426n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist at human recombinant P2Y1 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371570
PNG
(CHEMBL1162162)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C32H34N4O23P4/c37-21-11-13-35(31(39)33-21)27-25-23(53-29(55-25)17-7-3-1-4-8-17)19(51-27)15-49-60(41,42)57-62(45,46)59-63(47,48)58-61(43,44)50-16-20-24-26(56-30(54-24)18-9-5-2-6-10-18)28(52-20)36-14-12-22(38)34-32(36)40/h1-14,19-20,23-30H,15-16H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,33,37,39)(H,34,38,40)/t19-,20+,23-,24+,25-,26+,27-,28+,29?,30?
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n/an/an/an/a 3.07E+3n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371571
PNG
(CHEMBL1162181)
Show SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OC(=O)c3ccccc3NC)[C@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C34H40N6O25P4/c1-35-19-9-5-3-7-17(19)31(45)61-27-22(60-29(26(27)44)39-13-11-23(41)37-33(39)47)16-58-67(51,52)64-69(55,56)65-68(53,54)63-66(49,50)57-15-21-25(43)28(30(59-21)40-14-12-24(42)38-34(40)48)62-32(46)18-8-4-6-10-20(18)36-2/h3-14,21-22,25-30,35-36,43-44H,15-16H2,1-2H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,37,41,47)(H,38,42,48)/t21-,22+,25-,26+,27+,28-,29+,30-/m0/s1
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n/an/an/an/a 5.47E+3n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371572
PNG
(CHEMBL406266)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/p-4/t7-,8+,11-,12+,13-,14+,15-,16+
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n/an/an/an/a 34n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371573
PNG
(CHEMBL1162158)
Show SMILES OP(=O)(OC[C@H]1O[C@H]([C@@H]2OC(O[C@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H]([C@H]2OC(O[C@@H]12)\C=C\c1ccccc1)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C36H38N4O23P4/c41-25-15-17-39(35(43)37-25)33-31-29(57-27(59-31)13-11-21-7-3-1-4-8-21)23(55-33)19-53-64(45,46)61-66(49,50)63-67(51,52)62-65(47,48)54-20-24-30-32(34(56-24)40-18-16-26(42)38-36(40)44)60-28(58-30)14-12-22-9-5-2-6-10-22/h1-18,23-24,27-34H,19-20H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,37,41,43)(H,38,42,44)/b13-11+,14-12+/t23-,24+,27?,28?,29-,30+,31-,32+,33-,34+
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n/an/an/an/a 350n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371574
PNG
(CHEMBL1162157)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1
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n/an/an/an/a 68n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371574
PNG
(CHEMBL1162157)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@H]23)\C=C\c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C27H32N4O23P4/c32-17-8-10-30(26(36)28-17)24-21(35)20(34)15(48-24)12-46-55(38,39)52-57(42,43)54-58(44,45)53-56(40,41)47-13-16-22-23(25(49-16)31-11-9-18(33)29-27(31)37)51-19(50-22)7-6-14-4-2-1-3-5-14/h1-11,15-16,19-25,34-35H,12-13H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,28,32,36)(H,29,33,37)/b7-6+/t15-,16+,19?,20-,21-,22+,23+,24-,25+/m0/s1
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n/an/an/an/a 155n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371575
PNG
(CHEMBL1162166)
Show SMILES O[C@H]1[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@@H]3OC(O[C@@H]23)c2ccccc2)n2ccc(=O)[nH]c2=O)O[C@@H]([C@H]1O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C25H30N4O23P4/c30-15-6-8-28(24(34)26-15)21-18(33)17(32)13(46-21)10-44-53(36,37)50-55(40,41)52-56(42,43)51-54(38,39)45-11-14-19-20(49-23(48-19)12-4-2-1-3-5-12)22(47-14)29-9-7-16(31)27-25(29)35/h1-9,13-14,17-23,32-33H,10-11H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,26,30,34)(H,27,31,35)/t13-,14+,17-,18-,19-,20+,21-,22+,23?/m0/s1
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n/an/an/an/a 192n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371605
PNG
(CHEMBL1162203)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)n2ccc(=O)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(NC(=O)Nc2ccc(F)cc2)nc1=O
Show InChI InChI=1S/C25H31FN6O23P4/c26-11-1-3-12(4-2-11)27-23(38)28-15-5-7-31(24(39)29-15)21-19(36)17(34)13(51-21)9-49-56(41,42)53-58(45,46)55-59(47,48)54-57(43,44)50-10-14-18(35)20(37)22(52-14)32-8-6-16(33)30-25(32)40/h1-8,13-14,17-22,34-37H,9-10H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,30,33,40)(H2,27,28,29,38,39)/t13-,14+,17-,18+,19-,20+,21-,22+/m1/s1
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n/an/an/an/a 2.42E+3n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371594
PNG
(CHEMBL1162161)
Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/m1/s1
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n/an/an/an/a 1.39E+4n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371595
PNG
(CHEMBL1162160)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@H]2O[C@@H](Cc3ccccc3)O[C@@H]12
Show InChI InChI=1S/C18H21N5O10P2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15-14(31-12(32-15)6-10-4-2-1-3-5-10)11(30-18)7-29-35(27,28)33-34(24,25)26/h1-5,8-9,11-12,14-15,18H,6-7H2,(H,27,28)(H2,19,20,21)(H2,24,25,26)/t11-,12-,14-,15-,18-/m1/s1
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n/an/an/an/a 1.39E+4n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371596
PNG
(CHEMBL1162163)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12
Show InChI InChI=1S/C17H20N6O11P2/c24-12-10(6-32-36(30,31)34-35(27,28)29)33-16(13(12)25)23-8-20-11-14(18-7-19-15(11)23)22-17(26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,24-25H,6H2,(H,30,31)(H2,27,28,29)(H2,18,19,21,22,26)/t10-,12-,13-,16-/m1/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Inspire Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay


J Med Chem 51: 1007-25 (2008)


Article DOI: 10.1021/jm701348d
BindingDB Entry DOI: 10.7270/Q2P55PB6
More data for this
Ligand-Target Pair
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