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Compile Data Set for Download or QSAR

Found 989 hits with Last Name = 'weiss' and Initial = 't'   
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))
BDBM50397165
PNG
(CHEMBL2172149)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N7O9/c1-2-3-21-50-35(49)40-19-17-39(18-20-40)34(48)26(14-15-31(44)45)37-32(46)27-22-30(42(38-27)25-11-5-4-6-12-25)51-23-29(43)41-16-8-13-28(41)33(47)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50184767
PNG
(CHEMBL3824089)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
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0.800n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as su...


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397156
PNG
(CHEMBL2172129)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N11O7/c1-2-3-21-52-35(51)44-19-17-43(18-20-44)34(50)26(14-15-29-38-41-42-39-29)37-32(48)27-22-31(46(40-27)25-11-5-4-6-12-25)53-23-30(47)45-16-8-13-28(45)33(49)36-24-9-7-10-24/h4-6,11-12,22,24,26,28H,2-3,7-10,13-21,23H2,1H3,(H,36,49)(H,37,48)(H,38,39,41,42)/t26-,28-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397166
PNG
(CHEMBL2172148)
Show SMILES CCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-2-20-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-21-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-23-8-6-9-23/h3-5,10-11,21,23,25,27H,2,6-9,12-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397157
PNG
(CHEMBL2172128)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCc1nnn[nH]1)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N11O7/c1-2-50-33(49)42-18-16-41(17-19-42)32(48)24(13-14-27-36-39-40-37-27)35-30(46)25-20-29(44(38-25)23-10-4-3-5-11-23)51-21-28(45)43-15-7-12-26(43)31(47)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,47)(H,35,46)(H,36,37,39,40)/t24-,26-/m0/s1
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5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397164
PNG
(CHEMBL2172150)
Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OC1CCC1 |r|
Show InChI InChI=1S/C35H45N7O9/c43-29(41-16-6-13-28(41)33(47)36-23-7-4-8-23)22-50-30-21-27(38-42(30)24-9-2-1-3-10-24)32(46)37-26(14-15-31(44)45)34(48)39-17-19-40(20-18-39)35(49)51-25-11-5-12-25/h1-3,9-10,21,23,25-26,28H,4-8,11-20,22H2,(H,36,47)(H,37,46)(H,44,45)/t26-,28-/m0/s1
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5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397168
PNG
(CHEMBL2172146)
Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C38H45N7O9/c46-32(44-18-8-15-31(44)36(50)39-27-11-7-12-27)25-53-33-23-30(41-45(33)28-13-5-2-6-14-28)35(49)40-29(16-17-34(47)48)37(51)42-19-21-43(22-20-42)38(52)54-24-26-9-3-1-4-10-26/h1-6,9-10,13-14,23,27,29,31H,7-8,11-12,15-22,24-25H2,(H,39,50)(H,40,49)(H,47,48)/t29-,31-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397152
PNG
(CHEMBL2172133)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H49N7O8/c1-2-3-22-49-35(48)40-19-17-39(18-20-40)34(47)27(14-9-21-43)37-32(45)28-23-31(42(38-28)26-12-5-4-6-13-26)50-24-30(44)41-16-8-15-29(41)33(46)36-25-10-7-11-25/h4-6,12-13,23,25,27,29,43H,2-3,7-11,14-22,24H2,1H3,(H,36,46)(H,37,45)/t27-,29-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397144
PNG
(CHEMBL2172272)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-18-16-37(17-19-38)32(46)24(13-14-29(42)43)35-30(44)25-20-28(40(36-25)23-10-4-3-5-11-23)49-21-27(41)39-15-7-12-26(39)31(45)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21H2,1H3,(H,34,45)(H,35,44)(H,42,43)/t24-,26-/m0/s1
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7.30n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397163
PNG
(CHEMBL2172151)
Show SMILES CCOC(=O)N1CCN([C@H](C)C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)38-17-18-39(22(2)20-38)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397143
PNG
(CHEMBL2172140)
Show SMILES CCCCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N7O7/c1-2-3-19-45-32(44)37-17-15-36(16-18-37)27(40)21-33-30(42)25-20-29(39(35-25)24-11-5-4-6-12-24)46-22-28(41)38-14-8-13-26(38)31(43)34-23-9-7-10-23/h4-6,11-12,20,23,26H,2-3,7-10,13-19,21-22H2,1H3,(H,33,42)(H,34,43)/t26-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397205
PNG
(AR-C126532XX | AZD-6140 | AZD6140 | BRILINTA | TIC...)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
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14n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397183
PNG
(CHEMBL2172156)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NCC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-18-16-38(17-19-39)33(47)25(13-14-30(43)44)36-31(45)26-20-29(41(37-26)24-10-4-3-5-11-24)50-22-28(42)40-15-7-12-27(40)32(46)35-21-23-8-6-9-23/h3-5,10-11,20,23,25,27H,2,6-9,12-19,21-22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1
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19n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397185
PNG
(CHEMBL2172273)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-19-17-38(18-20-39)33(47)25(14-15-30(43)44)36-31(45)26-21-29(41(37-26)24-11-4-3-5-12-24)50-22-28(42)40-16-8-13-27(40)32(46)35-23-9-6-7-10-23/h3-5,11-12,21,23,25,27H,2,6-10,13-20,22H2,1H3,(H,35,46)(H,36,45)(H,43,44)/t25-,27-/m0/s1
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20n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397174
PNG
(CHEMBL2172165)
Show SMILES CCCCOC(=O)NC1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C36H49N7O9/c1-2-3-21-51-36(50)38-25-16-19-41(20-17-25)35(49)27(14-15-32(45)46)39-33(47)28-22-31(43(40-28)26-11-5-4-6-12-26)52-23-30(44)42-18-8-13-29(42)34(48)37-24-9-7-10-24/h4-6,11-12,22,24-25,27,29H,2-3,7-10,13-21,23H2,1H3,(H,37,48)(H,38,50)(H,39,47)(H,45,46)/t27-,29-/m0/s1
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22n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397158
PNG
(CHEMBL2172127)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H46N8O9S/c1-3-49-33(46)39-19-17-38(18-20-39)32(45)25(14-15-34-51(2,47)48)36-30(43)26-21-29(41(37-26)24-11-5-4-6-12-24)50-22-28(42)40-16-8-13-27(40)31(44)35-23-9-7-10-23/h4-6,11-12,21,23,25,27,34H,3,7-10,13-20,22H2,1-2H3,(H,35,44)(H,36,43)/t25-,27-/m0/s1
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23n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397153
PNG
(CHEMBL2172132)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N7O8/c1-2-46-32(45)37-17-15-36(16-18-37)31(44)24(13-19-40)34-29(42)25-20-28(39(35-25)23-10-4-3-5-11-23)47-21-27(41)38-14-7-12-26(38)30(43)33-22-8-6-9-22/h3-5,10-11,20,22,24,26,40H,2,6-9,12-19,21H2,1H3,(H,33,43)(H,34,42)/t24-,26-/m0/s1
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23n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397204
PNG
(ELINOGREL)
Show SMILES CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F
Show InChI InChI=1S/C20H15ClFN5O5S2/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17/h2-9,23H,1H3,(H,25,30)(H2,24,26,29)
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23n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397184
PNG
(CHEMBL2172274)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)N(C)C2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)39-19-17-38(18-20-39)32(46)25(14-15-30(43)44)35-31(45)26-21-29(41(36-26)24-9-5-4-6-10-24)50-22-28(42)40-16-8-13-27(40)33(47)37(2)23-11-7-12-23/h4-6,9-10,21,23,25,27H,3,7-8,11-20,22H2,1-2H3,(H,35,45)(H,43,44)/t25-,27-/m0/s1
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27n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397171
PNG
(CHEMBL2172143)
Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C37H45N7O8/c1-51-28-13-6-12-27(22-28)41-18-20-42(21-19-41)37(50)29(15-16-34(46)47)39-35(48)30-23-33(44(40-30)26-10-3-2-4-11-26)52-24-32(45)43-17-7-14-31(43)36(49)38-25-8-5-9-25/h2-4,6,10-13,22-23,25,29,31H,5,7-9,14-21,24H2,1H3,(H,38,49)(H,39,48)(H,46,47)/t29-,31-/m0/s1
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30n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397176
PNG
(CHEMBL2172163)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ccccc2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H40N6O8/c1-2-47-34(46)38-20-18-37(19-21-38)33(45)26(15-16-31(42)43)35-32(44)27-22-30(40(36-27)25-12-7-4-8-13-25)48-23-29(41)39-17-9-14-28(39)24-10-5-3-6-11-24/h3-8,10-13,22,26,28H,2,9,14-21,23H2,1H3,(H,35,44)(H,42,43)/t26-,28-/m0/s1
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33n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397170
PNG
(CHEMBL2172144)
Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCC(CC1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C38H44N6O8/c45-32(43-20-8-15-31(43)37(50)39-27-11-7-12-27)24-52-33-23-30(41-44(33)28-13-5-2-6-14-28)36(49)40-29(16-17-34(46)47)38(51)42-21-18-26(19-22-42)35(48)25-9-3-1-4-10-25/h1-6,9-10,13-14,23,26-27,29,31H,7-8,11-12,15-22,24H2,(H,39,50)(H,40,49)(H,46,47)/t29-,31-/m0/s1
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40n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397188
PNG
(CHEMBL2172269)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H45N7O9/c1-5-48-32(47)38-18-16-37(17-19-38)31(46)23(13-14-28(42)43)34-29(44)24-20-27(40(36-24)22-10-7-6-8-11-22)49-21-26(41)39-15-9-12-25(39)30(45)35-33(2,3)4/h6-8,10-11,20,23,25H,5,9,12-19,21H2,1-4H3,(H,34,44)(H,35,45)(H,42,43)/t23-,25-/m0/s1
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41n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397182
PNG
(CHEMBL2172157)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N7O9/c1-2-47-32(46)37-17-15-36(16-18-37)31(45)23(11-12-28(41)42)34-29(43)24-19-27(39(35-24)22-9-4-3-5-10-22)48-20-26(40)38-14-13-25(38)30(44)33-21-7-6-8-21/h3-5,9-10,19,21,23,25H,2,6-8,11-18,20H2,1H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1
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42n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397154
PNG
(CHEMBL2172131)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCNC(C)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H46N8O8/c1-3-49-34(48)40-19-17-39(18-20-40)33(47)26(14-15-35-23(2)43)37-31(45)27-21-30(42(38-27)25-11-5-4-6-12-25)50-22-29(44)41-16-8-13-28(41)32(46)36-24-9-7-10-24/h4-6,11-12,21,24,26,28H,3,7-10,13-20,22H2,1-2H3,(H,35,43)(H,36,46)(H,37,45)/t26-,28-/m0/s1
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42n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397159
PNG
(CHEMBL2172155)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CNS(C)(=O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H44N8O9S/c1-3-48-32(45)38-17-15-37(16-18-38)31(44)25(20-33-50(2,46)47)35-29(42)24-19-28(40(36-24)23-11-5-4-6-12-23)49-21-27(41)39-14-8-13-26(39)30(43)34-22-9-7-10-22/h4-6,11-12,19,22,25-26,33H,3,7-10,13-18,20-21H2,1-2H3,(H,34,43)(H,35,42)/t25-,26-/m0/s1
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48n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397160
PNG
(CHEMBL2172154)
Show SMILES CCOC(=O)N1CCN(C[C@H]1C)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)39-18-17-38(20-22(39)2)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25+,27+/m1/s1
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51n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397162
PNG
(CHEMBL2172152)
Show SMILES CCOC(=O)N1CCN([C@@H](C)C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)38-17-18-39(22(2)20-38)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25-,27-/m0/s1
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54n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397177
PNG
(CHEMBL2172162)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2c2ncc(C)[nH]2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H40N8O8/c1-3-47-32(46)38-16-14-37(15-17-38)31(45)23(11-12-28(42)43)35-30(44)24-18-27(40(36-24)22-8-5-4-6-9-22)48-20-26(41)39-13-7-10-25(39)29-33-19-21(2)34-29/h4-6,8-9,18-19,23,25H,3,7,10-17,20H2,1-2H3,(H,33,34)(H,35,44)(H,42,43)/t23-,25-/m0/s1
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56n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397189
PNG
(CHEMBL2172268)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC(C)C)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H43N7O9/c1-4-47-32(46)37-17-15-36(16-18-37)31(45)23(12-13-28(41)42)34-29(43)24-19-27(39(35-24)22-9-6-5-7-10-22)48-20-26(40)38-14-8-11-25(38)30(44)33-21(2)3/h5-7,9-10,19,21,23,25H,4,8,11-18,20H2,1-3H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1
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56n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397178
PNG
(CHEMBL2172161)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)N2CCCCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-2-49-34(48)39-20-18-38(19-21-39)32(46)25(13-14-30(43)44)35-31(45)26-22-29(41(36-26)24-10-5-3-6-11-24)50-23-28(42)40-17-9-12-27(40)33(47)37-15-7-4-8-16-37/h3,5-6,10-11,22,25,27H,2,4,7-9,12-21,23H2,1H3,(H,35,45)(H,43,44)/t25-,27-/m0/s1
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56n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397190
PNG
(CHEMBL2172267)
Show SMILES CCCNC(=O)[C@@H]1CCCN1C(=O)COc1cc(nn1-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C32H43N7O9/c1-3-14-33-30(44)25-11-8-15-38(25)26(40)21-48-27-20-24(35-39(27)22-9-6-5-7-10-22)29(43)34-23(12-13-28(41)42)31(45)36-16-18-37(19-17-36)32(46)47-4-2/h5-7,9-10,20,23,25H,3-4,8,11-19,21H2,1-2H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1
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66n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397167
PNG
(CHEMBL2172147)
Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)Oc1ccccc1 |r|
Show InChI InChI=1S/C37H43N7O9/c45-31(43-18-8-15-30(43)35(49)38-25-9-7-10-25)24-52-32-23-29(40-44(32)26-11-3-1-4-12-26)34(48)39-28(16-17-33(46)47)36(50)41-19-21-42(22-20-41)37(51)53-27-13-5-2-6-14-27/h1-6,11-14,23,25,28,30H,7-10,15-22,24H2,(H,38,49)(H,39,48)(H,46,47)/t28-,30-/m0/s1
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71n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397161
PNG
(CHEMBL2172153)
Show SMILES CCOC(=O)N1CCN(C[C@@H]1C)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H45N7O9/c1-3-49-34(48)39-18-17-38(20-22(39)2)33(47)25(14-15-30(43)44)36-31(45)26-19-29(41(37-26)24-11-5-4-6-12-24)50-21-28(42)40-16-8-13-27(40)32(46)35-23-9-7-10-23/h4-6,11-12,19,22-23,25,27H,3,7-10,13-18,20-21H2,1-2H3,(H,35,46)(H,36,45)(H,43,44)/t22-,25-,27-/m0/s1
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80n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397173
PNG
(CHEMBL2172141)
Show SMILES CCCCOC(=O)NC1CCN(C1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N7O9/c1-2-3-19-50-35(49)37-24-16-18-40(21-24)34(48)26(14-15-31(44)45)38-32(46)27-20-30(42(39-27)25-11-5-4-6-12-25)51-22-29(43)41-17-8-13-28(41)33(47)36-23-9-7-10-23/h4-6,11-12,20,23-24,26,28H,2-3,7-10,13-19,21-22H2,1H3,(H,36,47)(H,37,49)(H,38,46)(H,44,45)/t24?,26-,28-/m0/s1
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82n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397203
PNG
(CHEMBL2172275)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(C)(C)C(=O)OCC)c2ccc(C)cc2n1 |r|
Show InChI InChI=1S/C29H38N4O9/c1-6-40-27(38)29(4,5)42-23-17-22(30-21-16-18(3)8-9-19(21)23)25(36)31-20(10-11-24(34)35)26(37)32-12-14-33(15-13-32)28(39)41-7-2/h8-9,16-17,20H,6-7,10-15H2,1-5H3,(H,31,36)(H,34,35)/t20-/m0/s1
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86n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397187
PNG
(CHEMBL2172270)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H41N7O9/c1-2-47-32(46)37-17-15-36(16-18-37)31(45)23(12-13-28(41)42)34-29(43)24-19-27(39(35-24)22-7-4-3-5-8-22)48-20-26(40)38-14-6-9-25(38)30(44)33-21-10-11-21/h3-5,7-8,19,21,23,25H,2,6,9-18,20H2,1H3,(H,33,44)(H,34,43)(H,41,42)/t23-,25-/m0/s1
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105n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397146
PNG
(CHEMBL2172139)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CNC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H39N7O7/c1-2-43-30(42)35-16-14-34(15-17-35)25(38)19-31-28(40)23-18-27(37(33-23)22-10-4-3-5-11-22)44-20-26(39)36-13-7-12-24(36)29(41)32-21-8-6-9-21/h3-5,10-11,18,21,24H,2,6-9,12-17,19-20H2,1H3,(H,31,40)(H,32,41)/t24-/m0/s1
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107n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397147
PNG
(CHEMBL2172138)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H41N7O7/c1-3-44-31(43)36-17-15-35(16-18-36)30(42)21(2)32-28(40)24-19-27(38(34-24)23-11-5-4-6-12-23)45-20-26(39)37-14-8-13-25(37)29(41)33-22-9-7-10-22/h4-6,11-12,19,21-22,25H,3,7-10,13-18,20H2,1-2H3,(H,32,40)(H,33,41)/t21-,25-/m0/s1
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111n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397169
PNG
(CHEMBL2172145)
Show SMILES OC(=O)CC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C37H43N7O8/c45-31(43-18-8-15-30(43)35(49)38-26-11-7-12-26)24-52-32-23-29(40-44(32)27-13-5-2-6-14-27)34(48)39-28(16-17-33(46)47)37(51)42-21-19-41(20-22-42)36(50)25-9-3-1-4-10-25/h1-6,9-10,13-14,23,26,28,30H,7-8,11-12,15-22,24H2,(H,38,49)(H,39,48)(H,46,47)/t28-,30-/m0/s1
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130n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397145
PNG
(CHEMBL2172277)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2(CCC2)C(=O)OCC)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H37N5O9/c1-3-41-27(39)29(13-8-14-29)43-23-19-22(31-34(23)20-9-6-5-7-10-20)25(37)30-21(11-12-24(35)36)26(38)32-15-17-33(18-16-32)28(40)42-4-2/h5-7,9-10,19,21H,3-4,8,11-18H2,1-2H3,(H,30,37)(H,35,36)/t21-/m0/s1
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139n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397150
PNG
(CHEMBL2172135)
Show SMILES CCC[C@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(=O)N1CCN(CC1)C(=O)OCC |r|
Show InChI InChI=1S/C33H45N7O7/c1-3-10-25(32(44)37-17-19-38(20-18-37)33(45)46-4-2)35-30(42)26-21-29(40(36-26)24-13-6-5-7-14-24)47-22-28(41)39-16-9-15-27(39)31(43)34-23-11-8-12-23/h5-7,13-14,21,23,25,27H,3-4,8-12,15-20,22H2,1-2H3,(H,34,43)(H,35,42)/t25-,27-/m0/s1
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172n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397194
PNG
(CHEMBL2172166)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCCC2=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H34N6O9/c1-2-42-28(41)32-15-13-31(14-16-32)27(40)20(10-11-25(37)38)29-26(39)21-17-24(34(30-21)19-7-4-3-5-8-19)43-18-23(36)33-12-6-9-22(33)35/h3-5,7-8,17,20H,2,6,9-16,18H2,1H3,(H,29,39)(H,37,38)/t20-/m0/s1
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173n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397155
PNG
(CHEMBL2172130)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCN)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C32H44N8O7/c1-2-46-32(45)38-18-16-37(17-19-38)31(44)24(13-14-33)35-29(42)25-20-28(40(36-25)23-10-4-3-5-11-23)47-21-27(41)39-15-7-12-26(39)30(43)34-22-8-6-9-22/h3-5,10-11,20,22,24,26H,2,6-9,12-19,21,33H2,1H3,(H,34,43)(H,35,42)/t24-,26-/m0/s1
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180n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397148
PNG
(CHEMBL2172137)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@@H](NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1)C(C)C |r|
Show InChI InChI=1S/C33H45N7O7/c1-4-46-33(45)38-18-16-37(17-19-38)32(44)29(22(2)3)35-30(42)25-20-28(40(36-25)24-12-6-5-7-13-24)47-21-27(41)39-15-9-14-26(39)31(43)34-23-10-8-11-23/h5-7,12-13,20,22-23,26,29H,4,8-11,14-19,21H2,1-3H3,(H,34,43)(H,35,42)/t26-,29-/m0/s1
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183n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397172
PNG
(CHEMBL2172142)
Show SMILES CCCCOC(=O)N1CCC(C1)NC(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C35H47N7O9/c1-2-3-19-50-35(49)40-18-16-24(21-40)37-32(46)26(14-15-31(44)45)38-33(47)27-20-30(42(39-27)25-11-5-4-6-12-25)51-22-29(43)41-17-8-13-28(41)34(48)36-23-9-7-10-23/h4-6,11-12,20,23-24,26,28H,2-3,7-10,13-19,21-22H2,1H3,(H,36,48)(H,37,46)(H,38,47)(H,44,45)/t24?,26-,28-/m0/s1
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193n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397151
PNG
(CHEMBL2172134)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCCCO)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H47N7O8/c1-2-48-34(47)39-19-17-38(18-20-39)33(46)26(14-6-7-21-42)36-31(44)27-22-30(41(37-27)25-12-4-3-5-13-25)49-23-29(43)40-16-9-15-28(40)32(45)35-24-10-8-11-24/h3-5,12-13,22,24,26,28,42H,2,6-11,14-21,23H2,1H3,(H,35,45)(H,36,44)/t26-,28-/m0/s1
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202n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397149
PNG
(CHEMBL2172136)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CC(C)C)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C34H47N7O7/c1-4-47-34(46)39-18-16-38(17-19-39)33(45)27(20-23(2)3)36-31(43)26-21-30(41(37-26)25-12-6-5-7-13-25)48-22-29(42)40-15-9-14-28(40)32(44)35-24-10-8-11-24/h5-7,12-13,21,23-24,27-28H,4,8-11,14-20,22H2,1-3H3,(H,35,44)(H,36,43)/t27-,28-/m0/s1
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207n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397179
PNG
(CHEMBL2172160)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC[C@H]2C(=O)N2CCCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-19-17-37(18-20-38)31(45)24(12-13-29(42)43)34-30(44)25-21-28(40(35-25)23-9-4-3-5-10-23)49-22-27(41)39-16-8-11-26(39)32(46)36-14-6-7-15-36/h3-5,9-10,21,24,26H,2,6-8,11-20,22H2,1H3,(H,34,44)(H,42,43)/t24-,26-/m0/s1
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219n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Homo sapiens (Human))
BDBM50397181
PNG
(CHEMBL2172158)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC(=O)N2CCC(C2)C(=O)NC2CCC2)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H43N7O9/c1-2-48-33(47)38-17-15-37(16-18-38)32(46)25(11-12-29(42)43)35-31(45)26-19-28(40(36-26)24-9-4-3-5-10-24)49-21-27(41)39-14-13-22(20-39)30(44)34-23-7-6-8-23/h3-5,9-10,19,22-23,25H,2,6-8,11-18,20-21H2,1H3,(H,34,44)(H,35,45)(H,42,43)/t22?,25-/m0/s1
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238n/an/an/an/an/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method


J Med Chem 55: 8615-29 (2012)


Article DOI: 10.1021/jm300771j
BindingDB Entry DOI: 10.7270/Q2D50P3P
More data for this
Ligand-Target Pair
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