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PubMed code 25113932

Compile data set for download or QSAR
Found 51 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 12


(Homo sapiens (Human))		BDBM50057329
PNG
(CHEMBL3322653)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1COC |r|
Show InChI InChI=1S/C30H39N5O7/c1-3-4-16-42-30(40)35-14-12-34(13-15-35)29(39)23(10-11-26(36)37)33-28(38)25-18-24(22-17-21(22)19-41-2)31-27(32-25)20-8-6-5-7-9-20/h5-9,18,21-23H,3-4,10-17,19H2,1-2H3,(H,33,38)(H,36,37)/t21-,22+,23+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057328
PNG
(CHEMBL3322652)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC |r|
Show InChI InChI=1S/C30H40N6O7/c1-3-4-18-43-30(41)35-16-14-34(15-17-35)29(40)23(10-11-26(37)38)32-28(39)24-19-25(36-13-12-22(20-36)42-2)33-27(31-24)21-8-6-5-7-9-21/h5-9,19,22-23H,3-4,10-18,20H2,1-2H3,(H,32,39)(H,37,38)/t22-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057329
PNG
(CHEMBL3322653)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1COC |r|
Show InChI InChI=1S/C30H39N5O7/c1-3-4-16-42-30(40)35-14-12-34(13-15-35)29(39)23(10-11-26(36)37)33-28(38)25-18-24(22-17-21(22)19-41-2)31-27(32-25)20-8-6-5-7-9-20/h5-9,18,21-23H,3-4,10-17,19H2,1-2H3,(H,33,38)(H,36,37)/t21-,22+,23+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057330
PNG
(CHEMBL3322654)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@H]1COC |r|
Show InChI InChI=1S/C30H39N5O7/c1-3-4-16-42-30(40)35-14-12-34(13-15-35)29(39)23(10-11-26(36)37)33-28(38)25-18-24(22-17-21(22)19-41-2)31-27(32-25)20-8-6-5-7-9-20/h5-9,18,21-23H,3-4,10-17,19H2,1-2H3,(H,33,38)(H,36,37)/t21-,22-,23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057279
PNG
(CHEMBL3322632)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccsc1 |r|
Show InChI InChI=1S/C27H29N5O6S/c1-2-38-27(37)32-13-11-31(12-14-32)26(36)20(8-9-23(33)34)30-25(35)22-16-21(19-10-15-39-17-19)28-24(29-22)18-6-4-3-5-7-18/h3-7,10,15-17,20H,2,8-9,11-14H2,1H3,(H,30,35)(H,33,34)/t20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057299
PNG
(CHEMBL3322642)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC |r|
Show InChI InChI=1S/C28H36N6O7/c1-3-41-28(39)33-15-13-32(14-16-33)27(38)21(9-10-24(35)36)30-26(37)22-17-23(34-12-11-20(18-34)40-2)31-25(29-22)19-7-5-4-6-8-19/h4-8,17,20-21H,3,9-16,18H2,1-2H3,(H,30,37)(H,35,36)/t20-,21-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057275
PNG
(CHEMBL3322628)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)CO |r|
Show InChI InChI=1S/C27H35N5O7/c1-4-39-26(38)32-14-12-31(13-15-32)25(37)19(10-11-22(34)35)29-24(36)20-16-21(27(2,3)17-33)30-23(28-20)18-8-6-5-7-9-18/h5-9,16,19,33H,4,10-15,17H2,1-3H3,(H,29,36)(H,34,35)/t19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057298
PNG
(CHEMBL3322641)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCCC(O)C1 |r|
Show InChI InChI=1S/C28H36N6O7/c1-2-41-28(40)33-15-13-32(14-16-33)27(39)21(10-11-24(36)37)30-26(38)22-17-23(34-12-6-9-20(35)18-34)31-25(29-22)19-7-4-3-5-8-19/h3-5,7-8,17,20-21,35H,2,6,9-16,18H2,1H3,(H,30,38)(H,36,37)/t20?,21-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057325
PNG
(CHEMBL3322649)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1CO |r|
Show InChI InChI=1S/C27H33N5O7/c1-2-39-27(38)32-12-10-31(11-13-32)26(37)20(8-9-23(34)35)30-25(36)22-15-21(19-14-18(19)16-33)28-24(29-22)17-6-4-3-5-7-17/h3-7,15,18-20,33H,2,8-14,16H2,1H3,(H,30,36)(H,34,35)/t18-,19+,20+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057319
PNG
(CHEMBL3322643)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(N[C@@H]2CCOC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H34N6O7/c1-2-40-27(38)33-13-11-32(12-14-33)26(37)20(8-9-23(34)35)30-25(36)21-16-22(28-19-10-15-39-17-19)31-24(29-21)18-6-4-3-5-7-18/h3-7,16,19-20H,2,8-15,17H2,1H3,(H,30,36)(H,34,35)(H,28,29,31)/t19-,20+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057266
PNG
(CHEMBL3322622)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-n1cc(C)cn1 |r|
Show InChI InChI=1S/C27H31N7O6/c1-3-40-27(39)33-13-11-32(12-14-33)26(38)20(9-10-23(35)36)30-25(37)21-15-22(34-17-18(2)16-28-34)31-24(29-21)19-7-5-4-6-8-19/h4-8,15-17,20H,3,9-14H2,1-2H3,(H,30,37)(H,35,36)/t20-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057278
PNG
(CHEMBL3322631)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C30H33N5O7/c1-3-42-30(40)35-17-15-34(16-18-35)29(39)23(13-14-26(36)37)33-28(38)25-19-24(20-9-11-22(41-2)12-10-20)31-27(32-25)21-7-5-4-6-8-21/h4-12,19,23H,3,13-18H2,1-2H3,(H,33,38)(H,36,37)/t23-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057324
PNG
(CHEMBL3322648)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)O |r|
Show InChI InChI=1S/C26H33N5O7/c1-4-38-25(36)31-14-12-30(13-15-31)24(35)18(10-11-21(32)33)28-23(34)19-16-20(26(2,3)37)29-22(27-19)17-8-6-5-7-9-17/h5-9,16,18,37H,4,10-15H2,1-3H3,(H,28,34)(H,32,33)/t18-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057274
PNG
(CHEMBL3322627)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C27H35N5O6/c1-5-38-26(37)32-15-13-31(14-16-32)25(36)19(11-12-22(33)34)29-24(35)20-17-21(27(2,3)4)30-23(28-20)18-9-7-6-8-10-18/h6-10,17,19H,5,11-16H2,1-4H3,(H,29,35)(H,33,34)/t19-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057326
PNG
(CHEMBL3322650)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1COC |r|
Show InChI InChI=1S/C28H35N5O7/c1-3-40-28(38)33-13-11-32(12-14-33)27(37)21(9-10-24(34)35)31-26(36)23-16-22(20-15-19(20)17-39-2)29-25(30-23)18-7-5-4-6-8-18/h4-8,16,19-21H,3,9-15,17H2,1-2H3,(H,31,36)(H,34,35)/t19-,20+,21+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057326
PNG
(CHEMBL3322650)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@H]1C[C@@H]1COC |r|
Show InChI InChI=1S/C28H35N5O7/c1-3-40-28(38)33-13-11-32(12-14-33)27(37)21(9-10-24(34)35)31-26(36)23-16-22(20-15-19(20)17-39-2)29-25(30-23)18-7-5-4-6-8-18/h4-8,16,19-21H,3,9-15,17H2,1-2H3,(H,31,36)(H,34,35)/t19-,20+,21+/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057323
PNG
(CHEMBL3322647)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C1CCC(O)CC1 |r,wU:13.14,(-10.31,-9.62,;-8.99,-10.38,;-7.66,-9.61,;-6.32,-10.38,;-6.32,-11.92,;-4.98,-9.61,;-4.98,-8.07,;-3.66,-7.29,;-2.33,-8.07,;-2.33,-9.61,;-3.66,-10.37,;-.99,-7.3,;-.98,-5.76,;.35,-8.07,;.34,-9.61,;1.67,-10.39,;1.67,-11.93,;.34,-12.7,;3,-12.71,;1.68,-7.31,;3.02,-8.08,;3.01,-9.62,;4.35,-7.31,;4.35,-5.78,;5.68,-5.02,;7.02,-5.79,;7.01,-7.33,;5.68,-8.1,;8.34,-8.1,;8.33,-9.65,;9.66,-10.42,;10.99,-9.66,;11,-8.11,;9.66,-7.34,;5.68,-3.48,;7.02,-2.71,;7.02,-1.18,;5.69,-.4,;5.69,1.15,;4.35,-1.17,;4.35,-2.71,)|
Show InChI InChI=1S/C29H37N5O7/c1-2-41-29(40)34-16-14-33(15-17-34)28(39)22(12-13-25(36)37)32-27(38)24-18-23(19-8-10-21(35)11-9-19)30-26(31-24)20-6-4-3-5-7-20/h3-7,18-19,21-22,35H,2,8-17H2,1H3,(H,32,38)(H,36,37)/t19?,21?,22-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057327
PNG
(CHEMBL3322651)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)[C@@H]1C[C@H]1COC |r|
Show InChI InChI=1S/C28H35N5O7/c1-3-40-28(38)33-13-11-32(12-14-33)27(37)21(9-10-24(34)35)31-26(36)23-16-22(20-15-19(20)17-39-2)29-25(30-23)18-7-5-4-6-8-18/h4-8,16,19-21H,3,9-15,17H2,1-2H3,(H,31,36)(H,34,35)/t19-,20+,21-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057296
PNG
(CHEMBL3322640)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@H](O)C1 |r|
Show InChI InChI=1S/C27H34N6O7/c1-2-40-27(39)32-14-12-31(13-15-32)26(38)20(8-9-23(35)36)29-25(37)21-16-22(33-11-10-19(34)17-33)30-24(28-21)18-6-4-3-5-7-18/h3-7,16,19-20,34H,2,8-15,17H2,1H3,(H,29,37)(H,35,36)/t19-,20-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057264
PNG
(CHEMBL3322620)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C28H37N7O6/c1-3-41-28(40)35-17-15-34(16-18-35)27(39)21(9-10-24(36)37)30-26(38)22-19-23(33-13-11-32(2)12-14-33)31-25(29-22)20-7-5-4-6-8-20/h4-8,19,21H,3,9-18H2,1-2H3,(H,30,38)(H,36,37)/t21-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057273
PNG
(CHEMBL3322626)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C26H33N5O6/c1-4-37-26(36)31-14-12-30(13-15-31)25(35)19(10-11-22(32)33)29-24(34)21-16-20(17(2)3)27-23(28-21)18-8-6-5-7-9-18/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,29,34)(H,32,33)/t19-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057287
PNG
(CHEMBL3322639)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C27H34N6O7/c1-2-40-27(39)32-14-12-31(13-15-32)26(38)20(8-9-23(35)36)29-25(37)21-16-22(33-11-10-19(34)17-33)30-24(28-21)18-6-4-3-5-7-18/h3-7,16,19-20,34H,2,8-15,17H2,1H3,(H,29,37)(H,35,36)/t19-,20+/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057276
PNG
(CHEMBL3322629)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccncc1 |r|
Show InChI InChI=1S/C28H30N6O6/c1-2-40-28(39)34-16-14-33(15-17-34)27(38)21(8-9-24(35)36)32-26(37)23-18-22(19-10-12-29-13-11-19)30-25(31-23)20-6-4-3-5-7-20/h3-7,10-13,18,21H,2,8-9,14-17H2,1H3,(H,32,37)(H,35,36)/t21-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057285
PNG
(CHEMBL3322637)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(C)CO)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H34N6O7/c1-3-39-26(38)32-13-11-31(12-14-32)25(37)19(9-10-22(34)35)29-24(36)20-15-21(27-17(2)16-33)30-23(28-20)18-7-5-4-6-8-18/h4-8,15,17,19,33H,3,9-14,16H2,1-2H3,(H,29,36)(H,34,35)(H,27,28,30)/t17?,19-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057272
PNG
(CHEMBL3322625)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C1CC1 |r|
Show InChI InChI=1S/C26H31N5O6/c1-2-37-26(36)31-14-12-30(13-15-31)25(35)19(10-11-22(32)33)29-24(34)21-16-20(17-8-9-17)27-23(28-21)18-6-4-3-5-7-18/h3-7,16-17,19H,2,8-15H2,1H3,(H,29,34)(H,32,33)/t19-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50307624
PNG
((S)Ethyl 4-{4-Carboxy-2-[(2-phenylpyrimidine-4-car...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H31N5O6/c1-2-40-29(39)34-17-15-33(16-18-34)28(38)22(13-14-25(35)36)32-27(37)24-19-23(20-9-5-3-6-10-20)30-26(31-24)21-11-7-4-8-12-21/h3-12,19,22H,2,13-18H2,1H3,(H,32,37)(H,35,36)/t22-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057280
PNG
(CHEMBL3322633)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C26H29N7O6/c1-2-39-26(38)33-12-10-32(11-13-33)25(37)19(8-9-22(34)35)31-24(36)21-14-20(18-15-27-28-16-18)29-23(30-21)17-6-4-3-5-7-17/h3-7,14-16,19H,2,8-13H2,1H3,(H,27,28)(H,31,36)(H,34,35)/t19-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057320
PNG
(CHEMBL3322644)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(N)C1 |r|
Show InChI InChI=1S/C27H35N7O6/c1-2-40-27(39)33-14-12-32(13-15-33)26(38)20(8-9-23(35)36)30-25(37)21-16-22(34-11-10-19(28)17-34)31-24(29-21)18-6-4-3-5-7-18/h3-7,16,19-20H,2,8-15,17,28H2,1H3,(H,30,37)(H,35,36)/t19?,20-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057293
PNG
(CHEMBL3322612)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(C)C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H34N6O6/c1-4-38-26(37)32-14-12-31(13-15-32)25(36)19(10-11-22(33)34)29-24(35)20-16-21(27-17(2)3)30-23(28-20)18-8-6-5-7-9-18/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,29,35)(H,33,34)(H,27,28,30)/t19-/m0/s1
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n/an/a 96n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057286
PNG
(CHEMBL3322638)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(C)COC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H36N6O7/c1-4-40-27(38)33-14-12-32(13-15-33)26(37)20(10-11-23(34)35)30-25(36)21-16-22(28-18(2)17-39-3)31-24(29-21)19-8-6-5-7-9-19/h5-9,16,18,20H,4,10-15,17H2,1-3H3,(H,30,36)(H,34,35)(H,28,29,31)/t18?,20-/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057271
PNG
(CHEMBL3322599)
Show SMILES CCCCc1cc(nc(n1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C27H35N5O6/c1-3-5-11-20-18-22(29-24(28-20)19-9-7-6-8-10-19)25(35)30-21(12-13-23(33)34)26(36)31-14-16-32(17-15-31)27(37)38-4-2/h6-10,18,21H,3-5,11-17H2,1-2H3,(H,30,35)(H,33,34)/t21-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057265
PNG
(CHEMBL3322621)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C27H34N6O7/c1-2-40-27(38)33-12-10-32(11-13-33)26(37)20(8-9-23(34)35)29-25(36)21-18-22(31-14-16-39-17-15-31)30-24(28-21)19-6-4-3-5-7-19/h3-7,18,20H,2,8-17H2,1H3,(H,29,36)(H,34,35)/t20-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057288
PNG
(CHEMBL3322614)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCc2ccccc2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H34N6O6/c1-2-42-30(41)36-17-15-35(16-18-36)29(40)23(13-14-26(37)38)33-28(39)24-19-25(31-20-21-9-5-3-6-10-21)34-27(32-24)22-11-7-4-8-12-22/h3-12,19,23H,2,13-18,20H2,1H3,(H,33,39)(H,37,38)(H,31,32,34)/t23-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057277
PNG
(CHEMBL3322630)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccc[n+]([O-])c1 |r|
Show InChI InChI=1S/C28H30N6O7/c1-2-41-28(39)33-15-13-32(14-16-33)27(38)21(10-11-24(35)36)31-26(37)23-17-22(20-9-6-12-34(40)18-20)29-25(30-23)19-7-4-3-5-8-19/h3-9,12,17-18,21H,2,10-11,13-16H2,1H3,(H,31,37)(H,35,36)/t21-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057269
PNG
(CHEMBL3322597)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NS(=O)(=O)CC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H32N6O8S/c1-3-39-25(36)31-14-12-30(13-15-31)24(35)18(10-11-21(32)33)27-23(34)19-16-20(29-40(37,38)4-2)28-22(26-19)17-8-6-5-7-9-17/h5-9,16,18H,3-4,10-15H2,1-2H3,(H,27,34)(H,32,33)(H,26,28,29)/t18-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057294
PNG
(CHEMBL3322611)
Show SMILES CCCNc1cc(nc(n1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C26H34N6O6/c1-3-12-27-21-17-20(28-23(30-21)18-8-6-5-7-9-18)24(35)29-19(10-11-22(33)34)25(36)31-13-15-32(16-14-31)26(37)38-4-2/h5-9,17,19H,3-4,10-16H2,1-2H3,(H,29,35)(H,33,34)(H,27,28,30)/t19-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057258
PNG
(CHEMBL3322615)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCO)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C25H32N6O7/c1-2-38-25(37)31-13-11-30(12-14-31)24(36)18(8-9-21(33)34)28-23(35)19-16-20(26-10-15-32)29-22(27-19)17-6-4-3-5-7-17/h3-7,16,18,32H,2,8-15H2,1H3,(H,28,35)(H,33,34)(H,26,27,29)/t18-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057291
PNG
(CHEMBL3322613)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(Nc2ccccc2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H32N6O6/c1-2-41-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)32-27(38)23-19-24(30-21-11-7-4-8-12-21)33-26(31-23)20-9-5-3-6-10-20/h3-12,19,22H,2,13-18H2,1H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057268
PNG
(CHEMBL3322624)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(=O)c2ccccc2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H32N6O7/c1-2-43-30(42)36-17-15-35(16-18-36)29(41)22(13-14-25(37)38)32-28(40)23-19-24(34-27(39)21-11-7-4-8-12-21)33-26(31-23)20-9-5-3-6-10-20/h3-12,19,22H,2,13-18H2,1H3,(H,32,40)(H,37,38)(H,31,33,34,39)/t22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057259
PNG
(CHEMBL3322616)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCC(O)=O)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H32N6O8/c1-2-40-26(39)32-14-12-31(13-15-32)25(38)18(8-9-21(33)34)29-24(37)19-16-20(27-11-10-22(35)36)30-23(28-19)17-6-4-3-5-7-17/h3-7,16,18H,2,8-15H2,1H3,(H,29,37)(H,33,34)(H,35,36)(H,27,28,30)/t18-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057263
PNG
(CHEMBL3322619)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCCCC1 |r|
Show InChI InChI=1S/C28H36N6O6/c1-2-40-28(39)34-17-15-33(16-18-34)27(38)21(11-12-24(35)36)30-26(37)22-19-23(32-13-7-4-8-14-32)31-25(29-22)20-9-5-3-6-10-20/h3,5-6,9-10,19,21H,2,4,7-8,11-18H2,1H3,(H,30,37)(H,35,36)/t21-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057322
PNG
(CHEMBL3322646)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCO)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H33N5O7/c1-2-38-26(37)31-14-12-30(13-15-31)25(36)20(10-11-22(33)34)29-24(35)21-17-19(9-6-16-32)27-23(28-21)18-7-4-3-5-8-18/h3-5,7-8,17,20,32H,2,6,9-16H2,1H3,(H,29,35)(H,33,34)/t20-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057267
PNG
(CHEMBL3322623)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(=O)C2CCCCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H38N6O7/c1-2-43-30(42)36-17-15-35(16-18-36)29(41)22(13-14-25(37)38)32-28(40)23-19-24(34-27(39)21-11-7-4-8-12-21)33-26(31-23)20-9-5-3-6-10-20/h3,5-6,9-10,19,21-22H,2,4,7-8,11-18H2,1H3,(H,32,40)(H,37,38)(H,31,33,34,39)/t22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057284
PNG
(CHEMBL3322636)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(N[C@H]2CC[C@H](O)CC2)nc(n1)-c1ccccc1 |r,wU:13.14,26.26,wD:29.30,(9.44,-9.77,;10.78,-10.54,;12.11,-9.77,;13.44,-10.54,;13.45,-12.08,;14.78,-9.76,;14.78,-8.22,;16.11,-7.44,;17.44,-8.22,;17.44,-9.76,;16.11,-10.52,;18.77,-7.46,;18.78,-5.92,;20.1,-8.23,;20.1,-9.77,;21.43,-10.54,;21.43,-12.08,;20.09,-12.85,;22.76,-12.86,;21.44,-7.46,;22.77,-8.24,;22.77,-9.78,;24.11,-7.47,;24.1,-5.94,;25.43,-5.17,;25.42,-3.63,;26.75,-2.85,;26.74,-1.32,;28.07,-.54,;29.41,-1.31,;30.74,-.54,;29.41,-2.85,;28.09,-3.62,;26.77,-5.94,;26.77,-7.49,;25.43,-8.25,;28.09,-8.26,;28.08,-9.8,;29.41,-10.58,;30.75,-9.81,;30.75,-8.26,;29.42,-7.5,)|
Show InChI InChI=1S/C29H38N6O7/c1-2-42-29(41)35-16-14-34(15-17-35)28(40)22(12-13-25(37)38)32-27(39)23-18-24(30-20-8-10-21(36)11-9-20)33-26(31-23)19-6-4-3-5-7-19/h3-7,18,20-22,36H,2,8-17H2,1H3,(H,32,39)(H,37,38)(H,30,31,33)/t20-,21-,22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057262
PNG
(CHEMBL3322618)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCN2CCOCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H39N7O7/c1-2-43-29(41)36-14-12-35(13-15-36)28(40)22(8-9-25(37)38)32-27(39)23-20-24(30-10-11-34-16-18-42-19-17-34)33-26(31-23)21-6-4-3-5-7-21/h3-7,20,22H,2,8-19H2,1H3,(H,32,39)(H,37,38)(H,30,31,33)/t22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057270
PNG
(CHEMBL3322598)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H32N6O8S/c1-2-43-29(40)35-17-15-34(16-18-35)28(39)22(13-14-25(36)37)31-27(38)23-19-24(32-26(30-23)20-9-5-3-6-10-20)33-44(41,42)21-11-7-4-8-12-21/h3-12,19,22H,2,13-18H2,1H3,(H,31,38)(H,36,37)(H,30,32,33)/t22-/m0/s1
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Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057283
PNG
(CHEMBL3322635)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCCO)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H34N6O7/c1-2-39-26(38)32-14-12-31(13-15-32)25(37)19(9-10-22(34)35)29-24(36)20-17-21(27-11-6-16-33)30-23(28-20)18-7-4-3-5-8-18/h3-5,7-8,17,19,33H,2,6,9-16H2,1H3,(H,29,36)(H,34,35)(H,27,28,30)/t19-/m0/s1
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n/an/a 279n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057321
PNG
(CHEMBL3322645)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCCCC1CN(C)C |r|
Show InChI InChI=1S/C31H43N7O6/c1-4-44-31(43)37-18-16-36(17-19-37)30(42)24(13-14-27(39)40)33-29(41)25-20-26(34-28(32-25)22-10-6-5-7-11-22)38-15-9-8-12-23(38)21-35(2)3/h5-7,10-11,20,23-24H,4,8-9,12-19,21H2,1-3H3,(H,33,41)(H,39,40)/t23?,24-/m0/s1
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n/an/a 291n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057282
PNG
(CHEMBL3321766)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CN2CCOCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H36N6O7/c1-2-41-28(39)34-12-10-33(11-13-34)27(38)22(8-9-24(35)36)31-26(37)23-18-21(19-32-14-16-40-17-15-32)29-25(30-23)20-6-4-3-5-7-20/h3-7,18,22H,2,8-17,19H2,1H3,(H,31,37)(H,35,36)/t22-/m0/s1
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n/an/a 428n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057281
PNG
(CHEMBL3322634)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CN2CCCCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H38N6O6/c1-2-41-29(40)35-17-15-34(16-18-35)28(39)23(11-12-25(36)37)32-27(38)24-19-22(20-33-13-7-4-8-14-33)30-26(31-24)21-9-5-3-6-10-21/h3,5-6,9-10,19,23H,2,4,7-8,11-18,20H2,1H3,(H,32,38)(H,36,37)/t23-/m0/s1
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n/an/a 533n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50057261
PNG
(CHEMBL3322617)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCN(C)C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H37N7O6/c1-4-40-27(39)34-16-14-33(15-17-34)26(38)20(10-11-23(35)36)30-25(37)21-18-22(28-12-13-32(2)3)31-24(29-21)19-8-6-5-7-9-19/h5-9,18,20H,4,10-17H2,1-3H3,(H,30,37)(H,35,36)(H,28,29,31)/t20-/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-methyl-thio-adenosine 5'-diphosphate from human recombinant P2Y12 expressed in CHO cell membranes by scintillation counting me...

Bioorg Med Chem Lett 24: 4323-31 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.070
BindingDB Entry DOI: 10.7270/Q28C9XW4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%