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Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with Target = 'Purinergic receptor P2Y1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50100245
PNG
(CHEMBL3325894)
Show SMILES CCCC(=O)c1cnn(C2CCN(CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
Show InChI InChI=1S/C29H38ClN7O3/c1-4-5-27(38)24-17-31-37(20(24)2)22-8-10-36(11-9-22)32-29(40)25-18-35(26-7-6-21(30)16-23(25)26)19-28(39)34-14-12-33(3)13-15-34/h6-7,16-18,22H,4-5,8-15,19H2,1-3H3,(H,32,40)
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n/an/a 20n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100247
PNG
(CHEMBL3325891)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)nn1
Show InChI InChI=1S/C28H31ClN8O3/c1-4-5-24(38)21-15-30-37(18(21)2)26-9-8-25(32-33-26)31-28(40)22-16-36(23-7-6-19(29)14-20(22)23)17-27(39)35-12-10-34(3)11-13-35/h6-9,14-16H,4-5,10-13,17H2,1-3H3,(H,31,32,40)
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n/an/a 60n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445015
PNG
(CHEMBL3098247)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](F)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H23F3N6O2S/c1-2-5-33-21-26-19(25-14-7-10(14)9-3-4-11(22)12(23)6-9)16-20(27-21)30(29-28-16)15-8-13(24)17(31)18(15)32/h3-4,6,10,13-15,17-18,31-32H,2,5,7-8H2,1H3,(H,25,26,27)/t10-,13-,14+,15+,17+,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445014
PNG
(CHEMBL3098249)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(O)CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C24H30F2N6O5S/c1-2-5-38-24-28-22(27-16-7-13(16)11-3-4-14(25)15(26)6-11)19-23(29-24)32(31-30-19)17-8-18(21(36)20(17)35)37-10-12(34)9-33/h3-4,6,12-13,16-18,20-21,33-36H,2,5,7-10H2,1H3,(H,27,28,29)/t12?,13-,16+,17+,18-,20-,21+/m0/s1
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n/an/a 148n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100244
PNG
(CHEMBL3325893)
Show SMILES CCCC(=O)c1cnn([C@H]2CC[C@@H](CC2)NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c1C
Show InChI InChI=1/C30H39ClN6O3/c1-4-5-28(38)25-17-32-37(20(25)2)23-9-7-22(8-10-23)33-30(40)26-18-36(27-11-6-21(31)16-24(26)27)19-29(39)35-14-12-34(3)13-15-35/h6,11,16-18,22-23H,4-5,7-10,12-15,19H2,1-3H3,(H,33,40)/t22-,23-
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445023
PNG
(CHEMBL3098234)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(Cl)s2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H27ClN6O4S2/c1-2-7-33-21-24-19(23-11-8-10(11)14-3-4-15(22)34-14)16-20(25-21)28(27-26-16)12-9-13(32-6-5-29)18(31)17(12)30/h3-4,10-13,17-18,29-31H,2,5-9H2,1H3,(H,23,24,25)/t10-,11-,12-,13+,17+,18-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100196
PNG
(CHEMBL3325802)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C31H35ClN6O4/c1-3-4-29(40)26-18-33-38(21(26)2)24-8-6-23(7-9-24)34-31(42)27-19-37(28-10-5-22(32)17-25(27)28)20-30(41)36-13-11-35(12-14-36)15-16-39/h5-10,17-19,39H,3-4,11-16,20H2,1-2H3,(H,34,42)
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n/an/a 200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100194
PNG
(CHEMBL3325804)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4cc(C)on4)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C34H36ClN7O4/c1-4-5-32(43)29-18-36-42(23(29)3)27-9-7-25(8-10-27)37-34(45)30-20-41(31-11-6-24(35)17-28(30)31)21-33(44)40-14-12-39(13-15-40)19-26-16-22(2)46-38-26/h6-11,16-18,20H,4-5,12-15,19,21H2,1-3H3,(H,37,45)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445011
PNG
(CHEMBL3098241)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H]3F)c2n1
Show InChI InChI=1S/C21H23F3N6O3S/c1-2-5-34-21-26-19(25-12-7-9(12)8-3-4-10(22)11(23)6-8)14-20(27-21)30(29-28-14)15-13(24)16(31)18(33)17(15)32/h3-4,6,9,12-13,15-18,31-33H,2,5,7H2,1H3,(H,25,26,27)/t9-,12+,13-,15+,16-,17-,18+/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055816
PNG
(CHEMBL3325660)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCOC)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C33H40N6O4/c1-5-6-31(40)28-20-34-39(24(28)3)26-10-8-25(9-11-26)35-33(42)29-21-38(30-12-7-23(2)19-27(29)30)22-32(41)37-15-13-36(14-16-37)17-18-43-4/h7-12,19-21H,5-6,13-18,22H2,1-4H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100197
PNG
(CHEMBL3325803)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C33H38ClN7O4/c1-5-6-30(42)27-18-35-41(22(27)2)25-10-8-24(9-11-25)36-33(45)28-19-40(29-12-7-23(34)17-26(28)29)21-32(44)39-15-13-38(14-16-39)20-31(43)37(3)4/h7-12,17-19H,5-6,13-16,20-21H2,1-4H3,(H,36,45)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055849
PNG
(CHEMBL3325790)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(F)c(Cl)cc23)cc1
Show InChI InChI=1S/C30H32ClFN6O3/c1-4-5-28(39)23-16-33-38(19(23)2)21-8-6-20(7-9-21)34-30(41)24-17-37(27-15-26(32)25(31)14-22(24)27)18-29(40)36-12-10-35(3)11-13-36/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100272
PNG
(CHEMBL3325630)
Show SMILES Cl.CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3.ClH/c1-6-7-30(39)27-18-33-38(23(27)4)25-10-8-24(9-11-25)34-32(41)28-19-37(29-17-22(3)21(2)16-26(28)29)20-31(40)36-14-12-35(5)13-15-36;/h8-11,16-19H,6-7,12-15,20H2,1-5H3,(H,34,41);1H
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100193
PNG
(CHEMBL3325801)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCOC)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C32H37ClN6O4/c1-4-5-30(40)27-19-34-39(22(27)2)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-23(33)18-26(28)29)21-31(41)37-14-12-36(13-15-37)16-17-43-3/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055583
PNG
(CHEMBL3325645)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCC(CC3)NC)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3/c1-5-6-30(39)27-18-34-38(22(27)3)25-10-8-24(9-11-25)35-32(41)28-19-37(29-12-7-21(2)17-26(28)29)20-31(40)36-15-13-23(33-4)14-16-36/h7-12,17-19,23,33H,5-6,13-16,20H2,1-4H3,(H,35,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055820
PNG
(CHEMBL3325664)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC3)C(C)C)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C33H40N6O3/c1-6-7-31(40)28-19-34-39(24(28)5)26-11-9-25(10-12-26)35-33(42)29-20-38(30-13-8-23(4)18-27(29)30)21-32(41)37-16-14-36(15-17-37)22(2)3/h8-13,18-20,22H,6-7,14-17,21H2,1-5H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055822
PNG
(CHEMBL3325666)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)C(C)C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H38N6O3/c1-6-7-30(39)27-17-33-38(23(27)4)25-11-9-24(10-12-25)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36-15-14-35(5)22(3)18-36/h8-13,16-17,19,22H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055846
PNG
(CHEMBL3325788)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(Cc4ccc(F)cc4)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C37H39FN6O3/c1-4-5-35(45)32-21-39-44(26(32)3)30-13-11-29(12-14-30)40-37(47)33-23-43(34-15-6-25(2)20-31(33)34)24-36(46)42-18-16-41(17-19-42)22-27-7-9-28(38)10-8-27/h6-15,20-21,23H,4-5,16-19,22,24H2,1-3H3,(H,40,47)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055848
PNG
(CHEMBL3325452)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C30H33ClN6O3/c1-4-5-28(38)25-17-32-37(20(25)2)23-9-7-22(8-10-23)33-30(40)26-18-36(27-11-6-21(31)16-24(26)27)19-29(39)35-14-12-34(3)13-15-35/h6-11,16-18H,4-5,12-15,19H2,1-3H3,(H,33,40)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055840
PNG
(CHEMBL3325782)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCF)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H37FN6O3/c1-4-5-30(40)27-19-34-39(23(27)3)25-9-7-24(8-10-25)35-32(42)28-20-38(29-11-6-22(2)18-26(28)29)21-31(41)37-16-14-36(13-12-33)15-17-37/h6-11,18-20H,4-5,12-17,21H2,1-3H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055851
PNG
(CHEMBL3325792)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(cc23)C(F)(F)F)cc1
Show InChI InChI=1S/C31H33F3N6O3/c1-4-5-28(41)25-17-35-40(20(25)2)23-9-7-22(8-10-23)36-30(43)26-18-39(19-29(42)38-14-12-37(3)13-15-38)27-11-6-21(16-24(26)27)31(32,33)34/h6-11,16-18H,4-5,12-15,19H2,1-3H3,(H,36,43)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055850
PNG
(CHEMBL3325791)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(Br)cc23)cc1
Show InChI InChI=1S/C31H35BrN6O3/c1-5-6-29(39)25-17-33-38(21(25)3)23-9-7-22(8-10-23)34-31(41)26-18-37(28-15-20(2)27(32)16-24(26)28)19-30(40)36-13-11-35(4)12-14-36/h7-10,15-18H,5-6,11-14,19H2,1-4H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055815
PNG
(CHEMBL3325659)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CCO)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O4/c1-4-5-30(40)27-19-33-38(23(27)3)25-9-7-24(8-10-25)34-32(42)28-20-37(29-11-6-22(2)18-26(28)29)21-31(41)36-14-12-35(13-15-36)16-17-39/h6-11,18-20,39H,4-5,12-17,21H2,1-3H3,(H,34,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055823
PNG
(CHEMBL3325779)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC(C)NC(C)C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H38N6O3/c1-6-7-30(39)27-15-33-38(23(27)5)25-11-9-24(10-12-25)35-32(41)28-18-36(29-13-8-20(2)14-26(28)29)19-31(40)37-16-21(3)34-22(4)17-37/h8-15,18,21-22,34H,6-7,16-17,19H2,1-5H3,(H,35,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100195
PNG
(CHEMBL3325805)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCN(C)C(=O)C4C3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1/C33H36ClN7O4/c1-4-5-30(42)26-17-35-41(21(26)2)24-9-7-23(8-10-24)36-32(44)27-18-40(28-11-6-22(34)16-25(27)28)20-31(43)39-15-14-38-13-12-37(3)33(45)29(38)19-39/h6-11,16-18,29H,4-5,12-15,19-20H2,1-3H3,(H,36,44)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100243
PNG
(CHEMBL3325896)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c(c1)C#N
Show InChI InChI=1S/C31H32ClN7O3/c1-4-5-29(40)25-17-34-39(20(25)2)23-7-8-27(21(14-23)16-33)35-31(42)26-18-38(28-9-6-22(32)15-24(26)28)19-30(41)37-12-10-36(3)11-13-37/h6-9,14-15,17-18H,4-5,10-13,19H2,1-3H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055655
PNG
(CHEMBL3325655)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CNCC4C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H36N6O3/c1-4-5-30(39)27-15-34-38(21(27)3)25-9-7-24(8-10-25)35-32(41)28-18-36(29-11-6-20(2)12-26(28)29)19-31(40)37-16-22-13-33-14-23(22)17-37/h6-12,15,18,22-23,33H,4-5,13-14,16-17,19H2,1-3H3,(H,35,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445013
PNG
(CHEMBL3098250)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(F)CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C24H29F3N6O4S/c1-2-5-38-24-29-22(28-16-7-13(16)11-3-4-14(26)15(27)6-11)19-23(30-24)33(32-31-19)17-8-18(21(36)20(17)35)37-10-12(25)9-34/h3-4,6,12-13,16-18,20-21,34-36H,2,5,7-10H2,1H3,(H,28,29,30)/t12?,13-,16+,17+,18-,20-,21+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445017
PNG
(CHEMBL3098242)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@H]3[C@H](O)[C@H](O)[C@@H](OCCO)[C@H]3F)c2n1
Show InChI InChI=1S/C23H27F3N6O4S/c1-2-7-37-23-28-21(27-14-9-11(14)10-3-4-12(24)13(25)8-10)16-22(29-23)32(31-30-16)17-15(26)20(36-6-5-33)19(35)18(17)34/h3-4,8,11,14-15,17-20,33-35H,2,5-7,9H2,1H3,(H,27,28,29)/t11-,14+,15-,17+,18-,19-,20-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055585
PNG
(CHEMBL3325647)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCC(C3)N(C)C)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H38N6O3/c1-6-7-30(39)27-17-33-38(22(27)3)24-11-9-23(10-12-24)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36-15-14-25(18-36)35(4)5/h8-13,16-17,19,25H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055841
PNG
(CHEMBL3325783)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(F)F)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H36F2N6O3/c1-4-5-29(41)26-17-35-40(22(26)3)24-9-7-23(8-10-24)36-32(43)27-18-39(28-11-6-21(2)16-25(27)28)20-31(42)38-14-12-37(13-15-38)19-30(33)34/h6-11,16-18,30H,4-5,12-15,19-20H2,1-3H3,(H,36,43)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100187
PNG
(CHEMBL3325631)
Show SMILES Cl.CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C31H36N6O3.ClH/c1-5-6-29(38)26-18-32-37(22(26)3)24-10-8-23(9-11-24)33-31(40)27-19-36(28-12-7-21(2)17-25(27)28)20-30(39)35-15-13-34(4)14-16-35;/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40);1H
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055601
PNG
(CHEMBL3325651)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCCCC3CN)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H38N6O3/c1-4-7-30(39)27-18-34-38(22(27)3)24-12-10-23(11-13-24)35-32(41)28-19-36(29-14-9-21(2)16-26(28)29)20-31(40)37-15-6-5-8-25(37)17-33/h9-14,16,18-19,25H,4-8,15,17,20,33H2,1-3H3,(H,35,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055843
PNG
(CHEMBL3325785)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c3ccc(C)cc23)cc1
Show InChI InChI=1/C34H40N6O4/c1-5-6-32(42)29-15-35-40(23(29)4)25-10-8-24(9-11-25)36-34(44)30-19-38(31-12-7-21(2)13-28(30)31)20-33(43)39-17-26-14-27(41)18-37(26)16-22(39)3/h7-13,15,19,22,26-27,41H,5-6,14,16-18,20H2,1-4H3,(H,36,44)/t22-,26-,27+/s2
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055844
PNG
(CHEMBL3325786)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@H]3CN4)c3ccc(C)cc23)cc1
Show InChI InChI=1/C31H34N6O3/c1-4-5-29(38)26-15-33-37(20(26)3)23-9-7-21(8-10-23)34-31(40)27-17-35(28-11-6-19(2)12-25(27)28)18-30(39)36-16-22-13-24(36)14-32-22/h6-12,15,17,22,24,32H,4-5,13-14,16,18H2,1-3H3,(H,34,40)/t22-,24-/s2
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055847
PNG
(CHEMBL3325789)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(OC)cc23)cc1
Show InChI InChI=1S/C31H36N6O4/c1-5-6-29(38)26-18-32-37(21(26)2)23-9-7-22(8-10-23)33-31(40)27-19-36(28-12-11-24(41-4)17-25(27)28)20-30(39)35-15-13-34(3)14-16-35/h7-12,17-19H,5-6,13-16,20H2,1-4H3,(H,33,40)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100241
PNG
(CHEMBL3325643)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCCN(C)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C32H38N6O3/c1-5-7-30(39)27-19-33-38(23(27)3)25-11-9-24(10-12-25)34-32(41)28-20-37(29-13-8-22(2)18-26(28)29)21-31(40)36-15-6-14-35(4)16-17-36/h8-13,18-20H,5-7,14-17,21H2,1-4H3,(H,34,41)
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n/an/a 600n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100190
PNG
(CHEMBL3325806)
Show SMILES CCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C29H31ClN6O3/c1-4-27(37)24-16-31-36(19(24)2)22-8-6-21(7-9-22)32-29(39)25-17-35(26-10-5-20(30)15-23(25)26)18-28(38)34-13-11-33(3)12-14-34/h5-10,15-17H,4,11-14,18H2,1-3H3,(H,32,39)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055852
PNG
(CHEMBL3325793)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(C)c(Cl)cc23)cc1
Show InChI InChI=1S/C31H35ClN6O3/c1-5-6-29(39)25-17-33-38(21(25)3)23-9-7-22(8-10-23)34-31(41)26-18-37(28-15-20(2)27(32)16-24(26)28)19-30(40)36-13-11-35(4)12-14-36/h7-10,15-18H,5-6,11-14,19H2,1-4H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50445020
PNG
(CHEMBL3098238)
Show SMILES CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C21H24F2N6O4S/c1-2-5-34-21-25-19(24-12-7-9(12)8-3-4-10(22)11(23)6-8)13-20(26-21)29(28-27-13)14-15(30)17(32)18(33)16(14)31/h3-4,6,9,12,14-18,30-33H,2,5,7H2,1H3,(H,24,25,26)/t9-,12+,14-,15-,16+,17-,18-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in rat platelet-rich plasma assessed as inhibition of ADP-induced platelet aggregation incubated for 5 mins pri...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100191
PNG
(CHEMBL3325807)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12
Show InChI InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055819
PNG
(CHEMBL3325663)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN4CCCC4C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C33H38N6O3/c1-4-6-31(40)28-18-34-39(23(28)3)25-11-9-24(10-12-25)35-33(42)29-20-38(30-13-8-22(2)17-27(29)30)21-32(41)37-16-15-36-14-5-7-26(36)19-37/h8-13,17-18,20,26H,4-7,14-16,19,21H2,1-3H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055821
PNG
(CHEMBL3325665)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCNC(C)C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C31H36N6O3/c1-5-6-29(38)26-16-33-37(22(26)4)24-10-8-23(9-11-24)34-31(40)27-18-36(28-12-7-20(2)15-25(27)28)19-30(39)35-14-13-32-21(3)17-35/h7-12,15-16,18,21,32H,5-6,13-14,17,19H2,1-4H3,(H,34,40)
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n/an/a 700n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055657
PNG
(CHEMBL3325656)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CN(C)CC4C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C33H38N6O3/c1-5-6-31(40)28-14-34-39(22(28)3)26-10-8-25(9-11-26)35-33(42)29-19-37(30-12-7-21(2)13-27(29)30)20-32(41)38-17-23-15-36(4)16-24(23)18-38/h7-14,19,23-24H,5-6,15-18,20H2,1-4H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055818
PNG
(CHEMBL3325662)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC3)C3CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C33H38N6O3/c1-4-5-31(40)28-19-34-39(23(28)3)26-9-7-24(8-10-26)35-33(42)29-20-38(30-13-6-22(2)18-27(29)30)21-32(41)37-16-14-36(15-17-37)25-11-12-25/h6-10,13,18-20,25H,4-5,11-12,14-17,21H2,1-3H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100183
PNG
(CHEMBL3325640)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N(C)C3CCN(C)C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C32H38N6O3/c1-6-7-30(39)27-17-33-38(22(27)3)24-11-9-23(10-12-24)34-32(41)28-19-37(29-13-8-21(2)16-26(28)29)20-31(40)36(5)25-14-15-35(4)18-25/h8-13,16-17,19,25H,6-7,14-15,18,20H2,1-5H3,(H,34,41)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055582
PNG
(CHEMBL3325644)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCC(N)CC3)c3ccc(C)cc23)cc1
Show InChI InChI=1S/C31H36N6O3/c1-4-5-29(38)26-17-33-37(21(26)3)24-9-7-23(8-10-24)34-31(40)27-18-36(28-11-6-20(2)16-25(27)28)19-30(39)35-14-12-22(32)13-15-35/h6-11,16-18,22H,4-5,12-15,19,32H2,1-3H3,(H,34,40)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50055826
PNG
(CHEMBL3325780)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC(C)N(C)C(C)C3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C33H40N6O3/c1-7-8-31(40)28-16-34-39(24(28)5)26-12-10-25(11-13-26)35-33(42)29-19-37(30-14-9-21(2)15-27(29)30)20-32(41)38-17-22(3)36(6)23(4)18-38/h9-16,19,22-23H,7-8,17-18,20H2,1-6H3,(H,35,42)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y12


(Rattus norvegicus)
BDBM50100188
PNG
(CHEMBL3325632)
Show SMILES CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N[C@H]3CCNC3)c3ccc(C)cc23)cc1
Show InChI InChI=1/C30H34N6O3/c1-4-5-28(37)25-16-32-36(20(25)3)23-9-7-21(8-10-23)34-30(39)26-17-35(27-11-6-19(2)14-24(26)27)18-29(38)33-22-12-13-31-15-22/h6-11,14,16-17,22,31H,4-5,12-13,15,18H2,1-3H3,(H,33,38)(H,34,39)/t22-/s2
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Sanofi R&D

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation


Citation and Details
More data for this
Ligand-Target Pair
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