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Compile Data Set for Download or QSAR

Found 210 hits Enz. Inhib. hit(s) with all data for entry = 50030848   
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
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302697
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H46N6O7/c1-3-5-21-47-34(46)40-19-17-39(18-20-40)33(45)27(11-12-30(41)42)37-32(44)29-23-26(22-28(36-29)24-9-7-6-8-10-24)38-15-13-25(14-16-38)31(43)35-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,35,43)(H,37,44)(H,41,42)/t27-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302722
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H51N7O6/c1-2-3-9-24-49-36(48)43-22-20-42(21-23-43)35(47)29(12-13-32(44)45)38-34(46)30-25-31(39-33(37-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)26-40-16-7-8-17-40/h4-6,10-11,25,27,29H,2-3,7-9,12-24,26H2,1H3,(H,38,46)(H,44,45)/t29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302690
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-20-42(21-23-43)35(48)28(12-13-31(44)45)38-33(46)29-25-30(39-32(37-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)34(47)41-16-7-8-17-41/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t28-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302696
PNG
((S)-4-(6-(4-(ethylcarbamoyl)piperidin-1-yl)-2-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NCC |r|
Show InChI InChI=1S/C34H47N7O7/c1-3-5-9-22-48-34(47)41-20-18-40(19-21-41)33(46)26(12-13-29(42)43)37-32(45)27-23-28(38-30(36-27)24-10-7-6-8-11-24)39-16-14-25(15-17-39)31(44)35-4-2/h6-8,10-11,23,25-26H,3-5,9,12-22H2,1-2H3,(H,35,44)(H,37,45)(H,42,43)/t26-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302723
PNG
((4S)-4-[(6-{4-[(diethylamino)methyl]piperidin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN(CC)CC)CC1 |r|
Show InChI InChI=1S/C36H53N7O6/c1-4-7-11-24-49-36(48)43-22-20-42(21-23-43)35(47)29(14-15-32(44)45)38-34(46)30-25-31(39-33(37-30)28-12-9-8-10-13-28)41-18-16-27(17-19-41)26-40(5-2)6-3/h8-10,12-13,25,27,29H,4-7,11,14-24,26H2,1-3H3,(H,38,46)(H,44,45)/t29-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302687
PNG
((S)-4-(6-(4-(2-(ethylamino)-2-oxoethyl)piperidin-1...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NCC)CC1 |r|
Show InChI InChI=1S/C35H49N7O7/c1-3-5-9-22-49-35(48)42-20-18-41(19-21-42)34(47)27(12-13-31(44)45)38-33(46)28-24-29(39-32(37-28)26-10-7-6-8-11-26)40-16-14-25(15-17-40)23-30(43)36-4-2/h6-8,10-11,24-25,27H,3-5,9,12-23H2,1-2H3,(H,36,43)(H,38,46)(H,44,45)/t27-/m0/s1
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0.670n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302646
PNG
((S)-4-(6-(4-aminopiperidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(N)CC1 |r|
Show InChI InChI=1S/C31H43N7O6/c1-2-3-7-20-44-31(43)38-18-16-37(17-19-38)30(42)24(10-11-27(39)40)34-29(41)25-21-26(36-14-12-23(32)13-15-36)35-28(33-25)22-8-5-4-6-9-22/h4-6,8-9,21,23-24H,2-3,7,10-20,32H2,1H3,(H,34,41)(H,39,40)/t24-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302691
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C35H47N7O7/c1-2-3-23-49-35(48)42-21-19-41(20-22-42)34(47)27(11-12-30(43)44)37-32(45)28-24-29(38-31(36-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)33(46)40-15-7-8-16-40/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,37,45)(H,43,44)/t27-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302711
PNG
((S)-4-(6-(4-(2-hydroxyethoxy)piperidin-1-yl)-2-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OCCO |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-21-47-33(45)39-18-16-38(17-19-39)32(44)26(10-11-29(41)42)35-31(43)27-23-28(36-30(34-27)24-8-5-4-6-9-24)37-14-12-25(13-15-37)46-22-20-40/h4-6,8-9,23,25-26,40H,2-3,7,10-22H2,1H3,(H,35,43)(H,41,42)/t26-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302695
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r|
Show InChI InChI=1S/C35H49N7O7/c1-4-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(13-14-30(43)44)37-32(45)28-24-29(38-31(36-28)25-11-9-8-10-12-25)40-17-15-26(16-18-40)33(46)39(5-2)6-3/h8-12,24,26-27H,4-7,13-23H2,1-3H3,(H,37,45)(H,43,44)/t27-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302692
PNG
((S)-4-(6-(4-(azetidine-1-carbonyl)piperidin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCC1 |r|
Show InChI InChI=1S/C35H47N7O7/c1-2-3-7-23-49-35(48)42-21-19-41(20-22-42)34(47)27(11-12-30(43)44)37-32(45)28-24-29(38-31(36-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)33(46)40-15-8-16-40/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,37,45)(H,43,44)/t27-/m0/s1
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0.830n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302688
PNG
((S)-4-(6-(4-(2-(methylamino)-2-oxoethyl)piperidin-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)NC)CC1 |r|
Show InChI InChI=1S/C34H47N7O7/c1-3-4-8-21-48-34(47)41-19-17-40(18-20-41)33(46)26(11-12-30(43)44)37-32(45)27-23-28(38-31(36-27)25-9-6-5-7-10-25)39-15-13-24(14-16-39)22-29(42)35-2/h5-7,9-10,23-24,26H,3-4,8,11-22H2,1-2H3,(H,35,42)(H,37,45)(H,43,44)/t26-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302685
PNG
((S)-4-(6-(4-(2-(azetidin-1-yl)-2-oxoethyl)piperidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N2CCC2)CC1 |r|
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)43-21-19-42(20-22-43)35(48)28(11-12-32(45)46)38-34(47)29-25-30(39-33(37-29)27-9-5-4-6-10-27)40-17-13-26(14-18-40)24-31(44)41-15-8-16-41/h4-6,9-10,25-26,28H,2-3,7-8,11-24H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
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0.920n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302702
PNG
((S)-5-oxo-4-(6-(4-((2-oxopyrrolidin-1-yl)methyl)pi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN2CCCC2=O)CC1 |r|
Show InChI InChI=1S/C36H49N7O7/c1-2-3-7-23-50-36(49)42-21-19-41(20-22-42)35(48)28(12-13-32(45)46)38-34(47)29-24-30(39-33(37-29)27-9-5-4-6-10-27)40-17-14-26(15-18-40)25-43-16-8-11-31(43)44/h4-6,9-10,24,26,28H,2-3,7-8,11-23,25H2,1H3,(H,38,47)(H,45,46)/t28-/m0/s1
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0.990n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302658
PNG
((S)-4-(6-morpholino-2-phenylpyrimidine-4-carboxami...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H40N6O7/c1-2-3-7-18-43-30(41)36-14-12-35(13-15-36)29(40)23(10-11-26(37)38)32-28(39)24-21-25(34-16-19-42-20-17-34)33-27(31-24)22-8-5-4-6-9-22/h4-6,8-9,21,23H,2-3,7,10-20H2,1H3,(H,32,39)(H,37,38)/t23-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302660
PNG
((S)-4-(6-(2-methoxyethylamino)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O7/c1-3-4-8-18-42-29(40)35-16-14-34(15-17-35)28(39)22(11-12-25(36)37)32-27(38)23-20-24(30-13-19-41-2)33-26(31-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,32,38)(H,36,37)(H,30,31,33)/t22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302727
PNG
((S)-4-(6-(4-((methylamino)methyl)piperidin-1-yl)-2...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r|
Show InChI InChI=1S/C33H47N7O6/c1-3-4-8-21-46-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)36-31(43)27-22-28(38-15-13-24(14-16-38)23-34-2)37-30(35-27)25-9-6-5-7-10-25/h5-7,9-10,22,24,26,34H,3-4,8,11-21,23H2,1-2H3,(H,36,43)(H,41,42)/t26-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302676
PNG
((S)-4-(4-(2-methoxyethoxy)-6-phenylpyrimidine-2-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(OCCOC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H39N5O8/c1-3-4-8-17-42-29(39)34-15-13-33(14-16-34)28(38)22(11-12-25(35)36)31-27(37)26-30-23(21-9-6-5-7-10-21)20-24(32-26)41-19-18-40-2/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,31,37)(H,35,36)/t22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302677
PNG
((S)-4-(6-(2-methoxyethoxy)-2-phenylpyrimidine-4-ca...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCOC)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H39N5O8/c1-3-4-8-17-42-29(39)34-15-13-33(14-16-34)28(38)22(11-12-25(35)36)31-27(37)23-20-24(41-19-18-40-2)32-26(30-23)21-9-6-5-7-10-21/h5-7,9-10,20,22H,3-4,8,11-19H2,1-2H3,(H,31,37)(H,35,36)/t22-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302640
PNG
((S)-4-(6-(4-carbamoylpiperazin-1-yl)-2-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC1)C(N)=O |r|
Show InChI InChI=1S/C31H42N8O7/c1-2-3-7-20-46-31(45)39-18-14-37(15-19-39)29(43)23(10-11-26(40)41)34-28(42)24-21-25(36-12-16-38(17-13-36)30(32)44)35-27(33-24)22-8-5-4-6-9-22/h4-6,8-9,21,23H,2-3,7,10-20H2,1H3,(H2,32,44)(H,34,42)(H,40,41)/t23-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302655
PNG
((S)-4-(6-(3-ethoxyazetidin-1-yl)-2-phenylpyrimidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(C1)OCC |r|
Show InChI InChI=1S/C31H42N6O7/c1-3-5-9-18-44-31(42)36-16-14-35(15-17-36)30(41)24(12-13-27(38)39)33-29(40)25-19-26(37-20-23(21-37)43-4-2)34-28(32-25)22-10-7-6-8-11-22/h6-8,10-11,19,23-24H,3-5,9,12-18,20-21H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302699
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C |r|
Show InChI InChI=1S/C33H45N7O7/c1-4-5-21-47-33(46)40-19-17-39(18-20-40)32(45)25(11-12-28(41)42)35-30(43)26-22-27(36-29(34-26)23-9-7-6-8-10-23)38-15-13-24(14-16-38)31(44)37(2)3/h6-10,22,24-25H,4-5,11-21H2,1-3H3,(H,35,43)(H,41,42)/t25-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302627
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCOCC1 |r|
Show InChI InChI=1S/C34H47N7O7/c1-2-3-21-48-34(46)41-17-15-40(16-18-41)33(45)27(9-10-30(42)43)36-32(44)28-24-29(37-31(35-28)25-7-5-4-6-8-25)39-13-11-26(12-14-39)38-19-22-47-23-20-38/h4-8,24,26-27H,2-3,9-23H2,1H3,(H,36,44)(H,42,43)/t27-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302716
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-m...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)OC |r|
Show InChI InChI=1S/C31H42N6O7/c1-3-4-20-44-31(42)37-18-16-36(17-19-37)30(41)24(10-11-27(38)39)33-29(40)25-21-26(35-14-12-23(43-2)13-15-35)34-28(32-25)22-8-6-5-7-9-22/h5-9,21,23-24H,3-4,10-20H2,1-2H3,(H,33,40)(H,38,39)/t24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302629
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r|
Show InChI InChI=1S/C35H49N7O6/c1-2-3-9-24-48-35(47)42-22-20-41(21-23-42)34(46)28(12-13-31(43)44)37-33(45)29-25-30(38-32(36-29)26-10-5-4-6-11-26)40-18-14-27(15-19-40)39-16-7-8-17-39/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,37,45)(H,43,44)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302694
PNG
((S)-4-(6-(4-(diethylcarbamoyl)piperidin-1-yl)-2-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(CC)CC |r|
Show InChI InChI=1S/C36H51N7O7/c1-4-7-11-24-50-36(49)43-22-20-42(21-23-43)35(48)28(14-15-31(44)45)38-33(46)29-25-30(39-32(37-29)26-12-9-8-10-13-26)41-18-16-27(17-19-41)34(47)40(5-2)6-3/h8-10,12-13,25,27-28H,4-7,11,14-24H2,1-3H3,(H,38,46)(H,44,45)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302684
PNG
((S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H51N7O7/c1-2-3-9-24-51-37(50)44-22-20-43(21-23-44)36(49)29(12-13-33(46)47)39-35(48)30-26-31(40-34(38-30)28-10-5-4-6-11-28)41-18-14-27(15-19-41)25-32(45)42-16-7-8-17-42/h4-6,10-11,26-27,29H,2-3,7-9,12-25H2,1H3,(H,39,48)(H,46,47)/t29-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302630
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r|
Show InChI InChI=1S/C34H47N7O6/c1-2-3-23-47-34(46)41-21-19-40(20-22-41)33(45)27(11-12-30(42)43)36-32(44)28-24-29(37-31(35-28)25-9-5-4-6-10-25)39-17-13-26(14-18-39)38-15-7-8-16-38/h4-6,9-10,24,26-27H,2-3,7-8,11-23H2,1H3,(H,36,44)(H,42,43)/t27-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302705
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(4-(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCOC)CC1 |r|
Show InChI InChI=1S/C33H46N6O7/c1-3-4-21-46-33(44)39-19-17-38(18-20-39)32(43)26(10-11-29(40)41)35-31(42)27-23-28(36-30(34-27)25-8-6-5-7-9-25)37-15-12-24(13-16-37)14-22-45-2/h5-9,23-24,26H,3-4,10-22H2,1-2H3,(H,35,42)(H,40,41)/t26-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302701
PNG
((S)-4-(6-(4-carbamoylpiperidin-1-yl)-2-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O |r|
Show InChI InChI=1S/C32H43N7O7/c1-2-3-7-20-46-32(45)39-18-16-38(17-19-39)31(44)24(10-11-27(40)41)35-30(43)25-21-26(37-14-12-22(13-15-37)28(33)42)36-29(34-25)23-8-5-4-6-9-23/h4-6,8-9,21-22,24H,2-3,7,10-20H2,1H3,(H2,33,42)(H,35,43)(H,40,41)/t24-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302644
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCNCC1 |r|
Show InChI InChI=1S/C30H41N7O6/c1-2-3-7-20-43-30(42)37-18-16-36(17-19-37)29(41)23(10-11-26(38)39)33-28(40)24-21-25(35-14-12-31-13-15-35)34-27(32-24)22-8-5-4-6-9-22/h4-6,8-9,21,23,31H,2-3,7,10-20H2,1H3,(H,33,40)(H,38,39)/t23-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302634
PNG
((S)-5-oxo-4-(6-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-2-3-9-24-51-36(50)44-22-20-43(21-23-44)35(49)28(12-13-32(46)47)38-34(48)29-25-30(39-33(37-29)27-10-5-4-6-11-27)41-18-16-40(17-19-41)26-31(45)42-14-7-8-15-42/h4-6,10-11,25,28H,2-3,7-9,12-24,26H2,1H3,(H,38,48)(H,46,47)/t28-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302718
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H53N7O6/c1-2-3-9-26-50-37(49)44-24-22-43(23-25-44)36(48)30(12-13-33(45)46)39-35(47)31-27-32(40-34(38-31)29-10-5-4-6-11-29)42-20-15-28(16-21-42)14-19-41-17-7-8-18-41/h4-6,10-11,27-28,30H,2-3,7-9,12-26H2,1H3,(H,39,47)(H,45,46)/t30-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302666
PNG
((S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCNCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H44N6O7/c1-2-3-7-20-44-32(43)38-18-16-37(17-19-38)31(42)25(10-11-28(39)40)35-30(41)26-21-27(45-22-23-12-14-33-15-13-23)36-29(34-26)24-8-5-4-6-9-24/h4-6,8-9,21,23,25,33H,2-3,7,10-20,22H2,1H3,(H,35,41)(H,39,40)/t25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302725
PNG
((S)-4-(6-(4-((ethylamino)methyl)piperidin-1-yl)-2-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CNCC)CC1 |r|
Show InChI InChI=1S/C34H49N7O6/c1-3-5-9-22-47-34(46)41-20-18-40(19-21-41)33(45)27(12-13-30(42)43)37-32(44)28-23-29(38-31(36-28)26-10-7-6-8-11-26)39-16-14-25(15-17-39)24-35-4-2/h6-8,10-11,23,25,27,35H,3-5,9,12-22,24H2,1-2H3,(H,37,44)(H,42,43)/t27-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302633
PNG
((S)-4-(6-(4-(2-methoxyethyl)piperazin-1-yl)-2-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CCOC)CC1 |r|
Show InChI InChI=1S/C33H47N7O7/c1-3-4-8-22-47-33(45)40-19-17-39(18-20-40)32(44)26(11-12-29(41)42)35-31(43)27-24-28(36-30(34-27)25-9-6-5-7-10-25)38-15-13-37(14-16-38)21-23-46-2/h5-7,9-10,24,26H,3-4,8,11-23H2,1-2H3,(H,35,43)(H,41,42)/t26-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302656
PNG
((S)-4-(6-(3-hydroxyazetidin-1-yl)-2-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC(O)C1 |r|
Show InChI InChI=1S/C29H38N6O7/c1-2-3-7-16-42-29(41)34-14-12-33(13-15-34)28(40)22(10-11-25(37)38)31-27(39)23-17-24(35-18-21(36)19-35)32-26(30-23)20-8-5-4-6-9-20/h4-6,8-9,17,21-22,36H,2-3,7,10-16,18-19H2,1H3,(H,31,39)(H,37,38)/t22-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302698
PNG
((S)-4-(6-(4-(dimethylcarbamoyl)piperidin-1-yl)-2-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N(C)C |r|
Show InChI InChI=1S/C34H47N7O7/c1-4-5-9-22-48-34(47)41-20-18-40(19-21-41)33(46)26(12-13-29(42)43)36-31(44)27-23-28(37-30(35-27)24-10-7-6-8-11-24)39-16-14-25(15-17-39)32(45)38(2)3/h6-8,10-11,23,25-26H,4-5,9,12-22H2,1-3H3,(H,36,44)(H,42,43)/t26-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302636
PNG
((S)-4-(6-(4-(2-(dimethylamino)-2-oxoethyl)piperazi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC(=O)N(C)C)CC1 |r|
Show InChI InChI=1S/C34H48N8O7/c1-4-5-9-22-49-34(48)42-20-18-41(19-21-42)33(47)26(12-13-30(44)45)36-32(46)27-23-28(37-31(35-27)25-10-7-6-8-11-25)40-16-14-39(15-17-40)24-29(43)38(2)3/h6-8,10-11,23,26H,4-5,9,12-22,24H2,1-3H3,(H,36,46)(H,44,45)/t26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302721
PNG
((S)-4-(6-(4-(2-aminoethyl)piperidin-1-yl)-2-phenyl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCN)CC1 |r|
Show InChI InChI=1S/C33H47N7O6/c1-2-3-7-22-46-33(45)40-20-18-39(19-21-40)32(44)26(10-11-29(41)42)36-31(43)27-23-28(38-16-13-24(12-15-34)14-17-38)37-30(35-27)25-8-5-4-6-9-25/h4-6,8-9,23-24,26H,2-3,7,10-22,34H2,1H3,(H,36,43)(H,41,42)/t26-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302648
PNG
((S)-4-(6-(4-methylpiperazin-1-yl)-2-phenylpyrimidi...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C31H43N7O6/c1-3-4-8-21-44-31(43)38-19-17-37(18-20-38)30(42)24(11-12-27(39)40)33-29(41)25-22-26(36-15-13-35(2)14-16-36)34-28(32-25)23-9-6-5-7-10-23/h5-7,9-10,22,24H,3-4,8,11-21H2,1-2H3,(H,33,41)(H,39,40)/t24-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302719
PNG
((S)-4-(6-(4-(2-(dimethylamino)ethyl)piperidin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CCN(C)C)CC1 |r|
Show InChI InChI=1S/C35H51N7O6/c1-4-5-9-24-48-35(47)42-22-20-41(21-23-42)34(46)28(12-13-31(43)44)37-33(45)29-25-30(38-32(36-29)27-10-7-6-8-11-27)40-18-15-26(16-19-40)14-17-39(2)3/h6-8,10-11,25-26,28H,4-5,9,12-24H2,1-3H3,(H,37,45)(H,43,44)/t28-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302671
PNG
((S)-4-(6-(3-morpholinopropoxy)-2-phenylpyrimidine-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCN2CCOCC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H46N6O8/c1-2-3-7-20-47-33(44)39-16-14-38(15-17-39)32(43)26(11-12-29(40)41)35-31(42)27-24-28(36-30(34-27)25-9-5-4-6-10-25)46-21-8-13-37-18-22-45-23-19-37/h4-6,9-10,24,26H,2-3,7-8,11-23H2,1H3,(H,35,42)(H,40,41)/t26-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302638
PNG
((S)-4-(6-(4-(dimethylcarbamoyl)piperazin-1-yl)-2-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCN(CC1)C(=O)N(C)C |r|
Show InChI InChI=1S/C33H46N8O7/c1-4-5-9-22-48-33(47)41-20-16-39(17-21-41)31(45)25(12-13-28(42)43)35-30(44)26-23-27(36-29(34-26)24-10-7-6-8-11-24)38-14-18-40(19-15-38)32(46)37(2)3/h6-8,10-11,23,25H,4-5,9,12-22H2,1-3H3,(H,35,44)(H,42,43)/t25-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302626
PNG
((S)-4-(6-(4-morpholinopiperidin-1-yl)-2-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC1)N1CCOCC1 |r|
Show InChI InChI=1S/C35H49N7O7/c1-2-3-7-22-49-35(47)42-18-16-41(17-19-42)34(46)28(10-11-31(43)44)37-33(45)29-25-30(38-32(36-29)26-8-5-4-6-9-26)40-14-12-27(13-15-40)39-20-23-48-24-21-39/h4-6,8-9,25,27-28H,2-3,7,10-24H2,1H3,(H,37,45)(H,43,44)/t28-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302720
PNG
((S)-4-(4-(4-(2-aminoethyl)piperidin-1-yl)-6-phenyl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CCN)CC1 |r|
Show InChI InChI=1S/C33H47N7O6/c1-2-3-7-22-46-33(45)40-20-18-39(19-21-40)32(44)26(10-11-29(41)42)36-31(43)30-35-27(25-8-5-4-6-9-25)23-28(37-30)38-16-13-24(12-15-34)14-17-38/h4-6,8-9,23-24,26H,2-3,7,10-22,34H2,1H3,(H,36,43)(H,41,42)/t26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302729
PNG
((S)-4-(6-(4-(aminomethyl)piperidin-1-yl)-2-phenylp...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CN)CC1 |r|
Show InChI InChI=1S/C32H45N7O6/c1-2-3-7-20-45-32(44)39-18-16-38(17-19-39)31(43)25(10-11-28(40)41)35-30(42)26-21-27(37-14-12-23(22-33)13-15-37)36-29(34-26)24-8-5-4-6-9-24/h4-6,8-9,21,23,25H,2-3,7,10-20,22,33H2,1H3,(H,35,42)(H,40,41)/t25-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302686
PNG
((S)-4-(6-(4-(2-(diethylamino)-2-oxoethyl)piperidin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CCC(CC(=O)N(CC)CC)CC1 |r|
Show InChI InChI=1S/C37H53N7O7/c1-4-7-11-24-51-37(50)44-22-20-43(21-23-44)36(49)29(14-15-33(46)47)39-35(48)30-26-31(40-34(38-30)28-12-9-8-10-13-28)42-18-16-27(17-19-42)25-32(45)41(5-2)6-3/h8-10,12-13,26-27,29H,4-7,11,14-25H2,1-3H3,(H,39,48)(H,46,47)/t29-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302700
PNG
((S)-4-(4-(4-carbamoylpiperidin-1-yl)-6-phenylpyrim...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(N)=O |r|
Show InChI InChI=1S/C32H43N7O7/c1-2-3-7-20-46-32(45)39-18-16-38(17-19-39)31(44)24(10-11-27(40)41)35-30(43)29-34-25(22-8-5-4-6-9-22)21-26(36-29)37-14-12-23(13-15-37)28(33)42/h4-6,8-9,21,23-24H,2-3,7,10-20H2,1H3,(H2,33,42)(H,35,43)(H,40,41)/t24-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50302689
PNG
((S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-5-oxo-4-(...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C36H49N7O7/c1-2-3-9-24-50-36(49)43-22-20-42(21-23-43)35(48)28(12-13-31(44)45)38-33(46)32-37-29(26-10-5-4-6-11-26)25-30(39-32)40-18-14-27(15-19-40)34(47)41-16-7-8-17-41/h4-6,10-11,25,27-28H,2-3,7-9,12-24H2,1H3,(H,38,46)(H,44,45)/t28-/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
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3.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant P2Y12 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6148-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.017
BindingDB Entry DOI: 10.7270/Q2B27VCB
More data for this
Ligand-Target Pair
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