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Compile Data Set for Download or QSAR

Found 257 hits Enz. Inhib. hit(s) with all data for entry = 50031124   
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))
BDBM50307602
PNG
((4S)-4-[({4-[3-(Dimethylamino)propyl]-6-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCN(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H45N5O6/c1-4-5-9-21-43-32(42)37-19-17-36(18-20-37)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-10-16-35(2)3)22-27(33-28)25-12-7-6-8-13-25/h6-8,12-13,22-23,26H,4-5,9-11,14-21H2,1-3H3,(H,34,40)(H,38,39)/t26-/m0/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307002
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307604
PNG
((4S)4-{[(4-{[1-(Ethoxycarbonyl)piperidin-4-yl]meth...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)OCC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H49N5O9/c1-3-5-9-22-49-36(47)41-20-18-39(19-21-41)34(45)29(12-13-32(42)43)38-33(44)31-24-28(23-30(37-31)27-10-7-6-8-11-27)50-25-26-14-16-40(17-15-26)35(46)48-4-2/h6-8,10-11,23-24,26,29H,3-5,9,12-22,25H2,1-2H3,(H,38,44)(H,42,43)/t29-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307603
PNG
((4S)4-[({4-[(1-Acetylpiperidin-4-yl)ethoxy]-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)=O)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N5O8/c1-3-4-8-21-47-35(46)40-19-17-39(18-20-40)34(45)29(11-12-32(42)43)37-33(44)31-23-28(22-30(36-31)27-9-6-5-7-10-27)48-24-26-13-15-38(16-14-26)25(2)41/h5-7,9-10,22-23,26,29H,3-4,8,11-21,24H2,1-2H3,(H,37,44)(H,42,43)/t29-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307556
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H55N7O7/c1-5-6-10-23-51-37(50)45-21-19-44(20-22-45)35(48)30(13-14-33(46)52-38(2,3)4)43-34(47)32-25-29(24-31(42-32)28-11-8-7-9-12-28)41-36(49)40-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,43,47)(H2,40,41,42,49)/t30-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307557
PNG
((4S)4-{[(4-{[(2-Methoxyethoxy)carbonyl]amino}-6-ph...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCOC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H49N5O9/c1-6-7-11-20-48-34(45)40-18-16-39(17-19-40)32(43)27(14-15-30(41)49-35(2,3)4)38-31(42)29-24-26(36-33(44)47-22-21-46-5)23-28(37-29)25-12-9-8-10-13-25/h8-10,12-13,23-24,27H,6-7,11,14-22H2,1-5H3,(H,38,42)(H,36,37,44)/t27-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307010
PNG
((4S)4-{[(4-{4-[(Methylamino)ethyl]piperidin-1-yl}-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CNC)CC1 |r|
Show InChI InChI=1S/C34H48N6O6/c1-3-4-8-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)37-32(43)30-23-27(38-15-13-25(14-16-38)24-35-2)22-29(36-30)26-9-6-5-7-10-26/h5-7,9-10,22-23,25,28,35H,3-4,8,11-21,24H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307003
PNG
((4S)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(cc(n1)-c1ccccc1)N1CCC(CN2CCCC2)CC1 |r|
Show InChI InChI=1S/C36H50N6O6/c1-2-3-23-48-36(47)42-21-19-41(20-22-42)35(46)30(11-12-33(43)44)38-34(45)32-25-29(24-31(37-32)28-9-5-4-6-10-28)40-17-13-27(14-18-40)26-39-15-7-8-16-39/h4-6,9-10,24-25,27,30H,2-3,7-8,11-23,26H2,1H3,(H,38,45)(H,43,44)/t30-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307663
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(C2)OC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N5O9/c1-3-4-18-45-31(42)36-16-14-35(15-17-36)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-32(43)37-13-12-23(21-37)44-2/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307662
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-({[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)CC2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O9/c1-3-4-18-47-34(45)39-16-14-38(15-17-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(21-28(35-29)25-8-6-5-7-9-25)48-33(44)37(2)23-24-12-19-46-20-13-24/h5-9,21-22,24,27H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307665
PNG
((4S)-4-[({4-[(4-Acetylpiperazin-1-yl)carbonyl]-6-p...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C34H44N6O8/c1-3-4-8-21-48-34(47)40-19-17-39(18-20-40)33(46)27(11-12-30(42)43)36-31(44)29-23-26(22-28(35-29)25-9-6-5-7-10-25)32(45)38-15-13-37(14-16-38)24(2)41/h5-7,9-10,22-23,27H,3-4,8,11-21H2,1-2H3,(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& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307664
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H39N5O9/c1-2-3-17-44-30(41)35-13-11-34(12-14-35)29(40)24(9-10-27(37)38)33-28(39)26-21-23(45-31(42)36-15-18-43-19-16-36)20-25(32-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307558
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C38H54N6O8/c1-5-6-10-23-50-37(49)44-21-19-43(20-22-44)35(47)30(13-14-33(45)52-38(2,3)4)42-34(46)32-25-29(24-31(41-32)28-11-8-7-9-12-28)40-36(48)51-26-27-15-17-39-18-16-27/h7-9,11-12,24-25,27,30,39H,5-6,10,13-23,26H2,1-4H3,(H,42,46)(H,40,41,48)/t30-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307666
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N5O9/c1-3-4-17-45-32(43)37-15-13-36(14-16-37)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-31(42)35(2)23-12-18-44-21-23/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307559
PNG
((4S)4-{[(4-{[(3-Aminopropoxy)carbonyl]amino}-6-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)OCCCN)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H50N6O8/c1-5-6-10-21-48-34(46)41-19-17-40(18-20-41)32(44)27(14-15-30(42)49-35(2,3)4)39-31(43)29-24-26(37-33(45)47-22-11-16-36)23-28(38-29)25-12-8-7-9-13-25/h7-9,12-13,23-24,27H,5-6,10-11,14-22,36H2,1-4H3,(H,39,43)(H,37,38,45)/t27-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307006
PNG
((4S)4-{[(4-{4-[(Dimethylamino)ethyl]piperidin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(C)C)CC1 |r|
Show InChI InChI=1S/C35H50N6O6/c1-4-5-9-22-47-35(46)41-20-18-40(19-21-41)34(45)29(12-13-32(42)43)37-33(44)31-24-28(23-30(36-31)27-10-7-6-8-11-27)39-16-14-26(15-17-39)25-38(2)3/h6-8,10-11,23-24,26,29H,4-5,9,12-22,25H2,1-3H3,(H,37,44)(H,42,43)/t29-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307667
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H37N5O8/c1-4-5-17-41-29(40)34-15-13-33(14-16-34)27(38)22(11-12-25(35)36)31-26(37)24-19-21(42-28(39)32(2)3)18-23(30-24)20-9-7-6-8-10-20/h6-10,18-19,22H,4-5,11-17H2,1-3H3,(H,31,37)(H,35,36)/t22-/m0/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307669
PNG
((4S)4-[({4-[(2-Methoxyethyl)methyl)amino]-6-phenyl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCOC |r|
Show InChI InChI=1S/C31H43N5O7/c1-4-5-9-19-43-31(41)36-16-14-35(15-17-36)30(40)25(12-13-28(37)38)33-29(39)27-22-24(34(2)18-20-42-3)21-26(32-27)23-10-7-6-8-11-23/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,33,39)(H,37,38)/t25-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307702
PNG
((4S)-4-[({4-[3-(Dimethylamino)-3-oxopropyl]-6-phen...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCC(=O)N(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O7/c1-4-5-9-20-44-32(43)37-18-16-36(17-19-37)31(42)25(13-15-29(39)40)34-30(41)27-22-23(12-14-28(38)35(2)3)21-26(33-27)24-10-7-6-8-11-24/h6-8,10-11,21-22,25H,4-5,9,12-20H2,1-3H3,(H,34,41)(H,39,40)/t25-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307668
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-{[(4-{[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCC(CC2)OCC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O9/c1-3-5-21-47-33(44)39-19-17-37(18-20-39)32(43)27(11-12-30(40)41)36-31(42)29-23-26(22-28(35-29)24-9-7-6-8-10-24)48-34(45)38-15-13-25(14-16-38)46-4-2/h6-10,22-23,25,27H,3-5,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307560
PNG
((4S)4-{[(4-{[(4-Methylpiperazin-1-yl)acetyl]amino}...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCN(C)CC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C37H53N7O7/c1-6-7-11-24-50-36(49)44-22-20-42(21-23-44)34(47)29(14-15-32(45)51-37(2,3)4)40-33(46)31-26-28(25-30(39-31)27-12-9-8-10-13-27)38-35(48)43-18-16-41(5)17-19-43/h8-10,12-13,25-26,29H,6-7,11,14-24H2,1-5H3,(H,40,46)(H,38,39,48)/t29-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307703
PNG
((4S)4-({[4-({[Methyl(tetrahydrofuran-3-yl)mino]car...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N5O9/c1-3-4-8-18-46-33(44)38-16-14-37(15-17-38)31(42)26(11-12-29(39)40)35-30(41)28-21-25(20-27(34-28)23-9-6-5-7-10-23)47-32(43)36(2)24-13-19-45-22-24/h5-7,9-10,20-21,24,26H,3-4,8,11-19,22H2,1-2H3,(H,35,41)(H,39,40)/t24?,26-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307704
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(COC)CC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N5O8/c1-3-4-20-45-33(43)38-18-16-37(17-19-38)32(42)27(10-11-30(39)40)35-31(41)29-22-26(21-28(34-29)24-8-6-5-7-9-24)46-25-12-14-36(15-13-25)23-44-2/h5-9,21-22,25,27H,3-4,10-20,23H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307705
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCCOC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H39N5O7/c1-3-4-17-41-29(39)34-15-13-33(14-16-34)28(38)23(10-11-26(35)36)32-27(37)25-20-22(30-12-18-40-2)19-24(31-25)21-8-6-5-7-9-21/h5-9,19-20,23H,3-4,10-18H2,1-2H3,(H,30,31)(H,32,37)(H,35,36)/t23-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307706
PNG
((4S)4-[({4-[4-(Hydroxymethyl)piperidin-1-yl]-6-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CO)CC1 |r|
Show InChI InChI=1S/C33H45N5O7/c1-2-3-7-20-45-33(44)38-18-16-37(17-19-38)32(43)27(10-11-30(40)41)35-31(42)29-22-26(36-14-12-24(23-39)13-15-36)21-28(34-29)25-8-5-4-6-9-25/h4-6,8-9,21-22,24,27,39H,2-3,7,10-20,23H2,1H3,(H,35,42)(H,40,41)/t27-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307707
PNG
((4S)-4-[({4-[(Dimethylamino)carbonyl]-6-phenylpyri...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)C |r|
Show InChI InChI=1S/C30H39N5O7/c1-4-5-9-18-42-30(41)35-16-14-34(15-17-35)29(40)23(12-13-26(36)37)32-27(38)25-20-22(28(39)33(2)3)19-24(31-25)21-10-7-6-8-11-21/h6-8,10-11,19-20,23H,4-5,9,12-18H2,1-3H3,(H,32,38)(H,36,37)/t23-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307709
PNG
((4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-[({4-[(1...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(C)CC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O7/c1-3-4-20-43-32(42)37-18-16-36(17-19-37)31(41)26(10-11-29(38)39)34-30(40)28-22-25(44-24-12-14-35(2)15-13-24)21-27(33-28)23-8-6-5-7-9-23/h5-9,21-22,24,26H,3-4,10-20H2,1-2H3,(H,34,40)(H,38,39)/t26-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307708
PNG
((4S)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(OCCC2CCCNC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N5O7/c1-2-3-19-45-33(43)38-17-15-37(16-18-38)32(42)27(11-12-30(39)40)36-31(41)29-22-26(44-20-13-24-8-7-14-34-23-24)21-28(35-29)25-9-5-4-6-10-25/h4-6,9-10,21-22,24,27,34H,2-3,7-8,11-20,23H2,1H3,(H,36,41)(H,39,40)/t24?,27-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307710
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(C)CC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N5O7/c1-3-4-20-44-33(43)38-18-16-37(17-19-38)32(42)27(10-11-30(39)40)35-31(41)29-22-26(45-23-24-12-14-36(2)15-13-24)21-28(34-29)25-8-6-5-7-9-25/h5-9,21-22,24,27H,3-4,10-20,23H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307712
PNG
((4S)5-{4-[(Hexyloxy)carbonyl]piperazin-1-yl}-5-oxo...)
Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1 |r|
Show InChI InChI=1S/C37H52N6O6/c1-2-3-4-10-25-49-37(48)43-23-21-42(22-24-43)36(47)31(13-14-34(44)45)39-35(46)33-27-30(26-32(38-33)28-11-6-5-7-12-28)41-19-15-29(16-20-41)40-17-8-9-18-40/h5-7,11-12,26-27,29,31H,2-4,8-10,13-25H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307711
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)COC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N5O9/c1-3-4-20-48-35(46)40-18-16-39(17-19-40)34(45)28(10-11-32(42)43)37-33(44)30-22-27(21-29(36-30)26-8-6-5-7-9-26)49-23-25-12-14-38(15-13-25)31(41)24-47-2/h5-9,21-22,25,28H,3-4,10-20,23-24H2,1-2H3,(H,37,44)(H,42,43)/t28-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307713
PNG
((4S)-4-{[(4-{[Ethyl(methyl)amino]carbonyl}-6-pheny...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CC |r|
Show InChI InChI=1S/C31H41N5O7/c1-4-6-10-19-43-31(42)36-17-15-35(16-18-36)30(41)24(13-14-27(37)38)33-28(39)26-21-23(29(40)34(3)5-2)20-25(32-26)22-11-8-7-9-12-22/h7-9,11-12,20-21,24H,4-6,10,13-19H2,1-3H3,(H,33,39)(H,37,38)/t24-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307714
PNG
((4S)-4-{[(4-{[(3-Methoxypropyl)(methyl)amino]carbo...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N(C)CCCOC |r|
Show InChI InChI=1S/C33H45N5O8/c1-4-5-9-21-46-33(44)38-18-16-37(17-19-38)32(43)26(13-14-29(39)40)35-30(41)28-23-25(31(42)36(2)15-10-20-45-3)22-27(34-28)24-11-7-6-8-12-24/h6-8,11-12,22-23,26H,4-5,9-10,13-21H2,1-3H3,(H,35,41)(H,39,40)/t26-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307561
PNG
((4S)4-{[(4-{[(Isopropylamino)carbonyl]amino}-6-phe...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)NC(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H50N6O7/c1-7-8-12-21-47-34(46)41-19-17-40(18-20-41)32(44)27(15-16-30(42)48-35(4,5)6)39-31(43)29-23-26(37-33(45)36-24(2)3)22-28(38-29)25-13-10-9-11-14-25/h9-11,13-14,22-24,27H,7-8,12,15-21H2,1-6H3,(H,39,43)(H2,36,37,38,45)/t27-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307715
PNG
((4S)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)NC |r|
Show InChI InChI=1S/C32H44N6O6/c1-3-4-20-44-32(43)38-18-16-37(17-19-38)31(42)26(10-11-29(39)40)35-30(41)28-22-25(36-14-12-24(33-2)13-15-36)21-27(34-28)23-8-6-5-7-9-23/h5-9,21-22,24,26,33H,3-4,10-20H2,1-2H3,(H,35,41)(H,39,40)/t26-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307716
PNG
((4S)4-[({4-[(1-Acetylpiperidin-4-yl)oxy]-6-phenylp...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(=O)OC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N5O9/c1-3-4-20-46-33(44)38-18-16-36(17-19-38)31(42)26(10-11-29(39)40)35-30(41)28-22-25(21-27(34-28)23-8-6-5-7-9-23)47-24-12-14-37(15-13-24)32(43)45-2/h5-9,21-22,24,26H,3-4,10-20H2,1-2H3,(H,35,41)(H,39,40)/t26-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307717
PNG
((4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-y...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C33H43N5O7/c1-2-3-10-21-45-33(44)38-19-17-37(18-20-38)32(43)26(13-14-29(39)40)35-30(41)28-23-25(31(42)36-15-8-5-9-16-36)22-27(34-28)24-11-6-4-7-12-24/h4,6-7,11-12,22-23,26H,2-3,5,8-10,13-21H2,1H3,(H,35,41)(H,39,40)/t26-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307718
PNG
((4S)-4-({[4-(5-Hydroxypentyl)-6-phenylpyridin-2-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCCO)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H44N4O7/c1-2-3-10-21-43-32(42)36-18-16-35(17-19-36)31(41)26(14-15-29(38)39)34-30(40)28-23-24(11-6-5-9-20-37)22-27(33-28)25-12-7-4-8-13-25/h4,7-8,12-13,22-23,26,37H,2-3,5-6,9-11,14-21H2,1H3,(H,34,40)(H,38,39)/t26-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307719
PNG
((4S)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(OCCC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N5O7/c1-2-3-20-45-33(43)38-18-16-37(17-19-38)32(42)27(9-10-30(39)40)36-31(41)29-23-26(44-21-13-24-11-14-34-15-12-24)22-28(35-29)25-7-5-4-6-8-25/h4-8,22-24,27,34H,2-3,9-21H2,1H3,(H,36,41)(H,39,40)/t27-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307562
PNG
((4S)4-[({4-[(Morpholin-4-ylacetyl)mino]-6-phenylpy...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(NC(=O)N2CCOCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H50N6O8/c1-5-6-10-21-49-35(47)42-17-15-40(16-18-42)33(45)28(13-14-31(43)50-36(2,3)4)39-32(44)30-25-27(37-34(46)41-19-22-48-23-20-41)24-29(38-30)26-11-8-7-9-12-26/h7-9,11-12,24-25,28H,5-6,10,13-23H2,1-4H3,(H,39,44)(H,37,38,46)/t28-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307720
PNG
((4S)-4-[({4-[(4-Methoxypiperidin-1-yl)carbonyl]-6-...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)C(=O)N1CCC(CC1)OC |r|
Show InChI InChI=1S/C34H45N5O8/c1-3-4-8-21-47-34(45)39-19-17-38(18-20-39)33(44)27(11-12-30(40)41)36-31(42)29-23-25(22-28(35-29)24-9-6-5-7-10-24)32(43)37-15-13-26(46-2)14-16-37/h5-7,9-10,22-23,26-27H,3-4,8,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307563
PNG
((4S)4-{[(4-{[(4-Methylpiperazin-1-yl)carbonyl]amin...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NC(=O)N2CCN(C)CC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N7O7/c1-3-4-8-21-47-33(46)40-19-17-38(18-20-40)31(44)26(11-12-29(41)42)36-30(43)28-23-25(22-27(35-28)24-9-6-5-7-10-24)34-32(45)39-15-13-37(2)14-16-39/h5-7,9-10,22-23,26H,3-4,8,11-21H2,1-2H3,(H,36,43)(H,41,42)(H,34,35,45)/t26-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307007
PNG
((4S)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(CN(C)C)CC1 |r|
Show InChI InChI=1S/C34H48N6O6/c1-4-5-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)36-32(43)30-23-27(22-29(35-30)26-9-7-6-8-10-26)38-15-13-25(14-16-38)24-37(2)3/h6-10,22-23,25,28H,4-5,11-21,24H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307670
PNG
((4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-mo...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H39N5O7/c1-2-3-17-42-30(40)35-13-11-34(12-14-35)29(39)24(9-10-27(36)37)32-28(38)26-21-23(33-15-18-41-19-16-33)20-25(31-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,32,38)(H,36,37)/t24-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307672
PNG
((4S)-4-[({4-[4-(Dimethylamino)butyl]-6-phenylpyrid...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCN(C)C)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H47N5O6/c1-4-5-11-22-44-33(43)38-20-18-37(19-21-38)32(42)27(15-16-30(39)40)35-31(41)29-24-25(12-9-10-17-36(2)3)23-28(34-29)26-13-7-6-8-14-26/h6-8,13-14,23-24,27H,4-5,9-12,15-22H2,1-3H3,(H,35,41)(H,39,40)/t27-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307671
PNG
((4S)4-({[4-(4-Aminopiperidin-1-yl)6-phenylpyridin-...)
Show SMILES CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(N)CC1 |r|
Show InChI InChI=1S/C33H46N6O6/c1-2-3-4-8-21-45-33(44)39-19-17-38(18-20-39)32(43)27(11-12-30(40)41)36-31(42)29-23-26(37-15-13-25(34)14-16-37)22-28(35-29)24-9-6-5-7-10-24/h5-7,9-10,22-23,25,27H,2-4,8,11-21,34H2,1H3,(H,36,42)(H,40,41)/t27-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50298134
PNG
((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCNCC2)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N5O7/c1-2-3-7-20-43-32(42)37-18-16-36(17-19-37)31(41)26(10-11-29(38)39)35-30(40)28-22-25(44-24-12-14-33-15-13-24)21-27(34-28)23-8-5-4-6-9-23/h4-6,8-9,21-22,24,26,33H,2-3,7,10-20H2,1H3,(H,35,40)(H,38,39)/t26-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307673
PNG
((4S)4-({[4-(4-Aminopiperidin-1-yl)6-phenylpyridin-...)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(N)CC1 |r|
Show InChI InChI=1S/C31H42N6O6/c1-2-3-19-43-31(42)37-17-15-36(16-18-37)30(41)25(9-10-28(38)39)34-29(40)27-21-24(35-13-11-23(32)12-14-35)20-26(33-27)22-7-5-4-6-8-22/h4-8,20-21,23,25H,2-3,9-19,32H2,1H3,(H,34,40)(H,38,39)/t25-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307674
PNG
((4S)4-[({4-[(1-Acetylpiperidin-4-ylo)xy]-6-phenylp...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(CC2)C(=O)OC)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N5O9/c1-3-4-8-21-47-34(45)39-19-17-37(18-20-39)32(43)27(11-12-30(40)41)36-31(42)29-23-26(22-28(35-29)24-9-6-5-7-10-24)48-25-13-15-38(16-14-25)33(44)46-2/h5-7,9-10,22-23,25,27H,3-4,8,11-21H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50307675
PNG
((4S)-4-({[4-(4-Hydroxybutyl)-6-phenylpyridin-2-yl]...)
Show SMILES CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(CCCCO)cc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H42N4O7/c1-2-3-9-20-42-31(41)35-17-15-34(16-18-35)30(40)25(13-14-28(37)38)33-29(39)27-22-23(10-7-8-19-36)21-26(32-27)24-11-5-4-6-12-24/h4-6,11-12,21-22,25,36H,2-3,7-10,13-20H2,1H3,(H,33,39)(H,37,38)/t25-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells


J Med Chem 53: 2010-37 (2010)


Article DOI: 10.1021/jm901518t
BindingDB Entry DOI: 10.7270/Q2HH6K50
More data for this
Ligand-Target Pair
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