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Compile Data Set for Download or QSAR

Found 3117 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1'   
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 P2Y1


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307)
Show SMILES CC(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C37H41FN4O2/c1-24(2)22-41-21-7-10-31(41)26-13-17-28(18-14-26)39-36(44)40-30-8-5-6-9-32(30)42-23-37(3,4)34-29(19-20-33(43)35(34)42)25-11-15-27(38)16-12-25/h5-6,8-9,11-20,24,31,43H,7,10,21-23H2,1-4H3,(H2,39,40,44)
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n/an/a 0.0200n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017084
PNG
(CHEMBL3287050 | US9428504, 61)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1
Show InChI InChI=1S/C27H31Cl2N5O2S/c1-26(2,3)15-33-12-10-27(11-13-33)16-34(23-20(35)9-8-17(28)22(23)27)19-7-5-4-6-18(19)30-25(36)32-21-14-37-24(29)31-21/h4-9,14,35H,10-13,15-16H2,1-3H3,(H2,30,32,36)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045625
PNG
(CHEMBL3314305)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C26H22ClFN4O2S/c1-26(2)14-32(23-20(33)12-11-17(22(23)26)15-7-9-16(28)10-8-15)19-6-4-3-5-18(19)29-25(34)31-21-13-35-24(27)30-21/h3-13,33H,14H2,1-2H3,(H2,29,31,34)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017090
PNG
(CHEMBL3287044 | US9428504, 59)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H34ClF3N4O3/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-20-8-10-21(11-9-20)42-31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017089
PNG
(CHEMBL3287043 | US9428504, 8)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H34F3N5O3/c1-30(2,3)19-39-16-14-31(15-17-39)20-40(28-26(41)13-8-21(18-36)27(28)31)25-7-5-4-6-24(25)38-29(42)37-22-9-11-23(12-10-22)43-32(33,34)35/h4-13,41H,14-17,19-20H2,1-3H3,(H2,37,38,42)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045628
PNG
(CHEMBL3314308)
Show SMILES CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1/C38H43FN4O2/c1-37(2,3)23-42-22-8-11-31(42)26-14-18-28(19-15-26)40-36(45)41-30-9-6-7-10-32(30)43-24-38(4,5)34-29(20-21-33(44)35(34)43)25-12-16-27(39)17-13-25/h6-7,9-10,12-21,31,44H,8,11,22-24H2,1-5H3,(H2,40,41,45)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045611
PNG
(CHEMBL3314291)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(Cl)nc2s1
Show InChI InChI=1/C25H21Cl2N5O4S/c1-3-36-22(34)25(2)12-32(20-17(33)10-8-13(26)19(20)25)16-7-5-4-6-14(16)28-23(35)31-24-29-15-9-11-18(27)30-21(15)37-24/h4-11,33H,3,12H2,1-2H3,(H2,28,29,31,35)
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n/an/a 0.0500n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017083
PNG
(CHEMBL3287049 | US9428504, 39)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1
Show InChI InChI=1S/C31H33ClFN5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(32)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(33)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40)
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n/an/a 0.0600n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015286
PNG
(CHEMBL3263066 | US9120798, 3)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C33H33F6N5OS/c1-30(2,3)18-43-16-14-31(15-17-43)19-44(27-25(45)13-12-22(26(27)31)33(37,38)39)24-7-5-4-6-23(24)40-29-42-41-28(46-29)20-8-10-21(11-9-20)32(34,35)36/h4-13,45H,14-19H2,1-3H3,(H,40,42)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017085
PNG
(CHEMBL3287051 | US9428504, 60)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H34ClF3N4O2/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-21-10-8-20(9-11-21)31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045626
PNG
(CHEMBL3314306)
Show SMILES Cc1nc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cs1
Show InChI InChI=1S/C27H25FN4O2S/c1-16-29-23(14-35-16)31-26(34)30-20-6-4-5-7-21(20)32-15-27(2,3)24-19(12-13-22(33)25(24)32)17-8-10-18(28)11-9-17/h4-14,33H,15H2,1-3H3,(H2,30,31,34)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045610
PNG
(CHEMBL3314290)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C26H23ClF3N3O5/c1-3-37-23(35)25(2)14-33(22-20(34)13-12-17(27)21(22)25)19-7-5-4-6-18(19)32-24(36)31-15-8-10-16(11-9-15)38-26(28,29)30/h4-13,34H,3,14H2,1-2H3,(H2,31,32,36)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045606
PNG
(CHEMBL3314320 | US9428504, 155)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(c(F)cc3O)-c2ccc(F)cc2)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C37H37F5N4O3/c1-35(2,3)21-45-18-16-36(17-19-45)22-46(33-30(47)20-27(39)31(32(33)36)23-8-10-24(38)11-9-23)29-7-5-4-6-28(29)44-34(48)43-25-12-14-26(15-13-25)49-37(40,41)42/h4-15,20,47H,16-19,21-22H2,1-3H3,(H2,43,44,48)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015276
PNG
(CHEMBL3263056 | US9428504, 166 | US9428504, 167)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015276
PNG
(CHEMBL3263056 | US9428504, 166 | US9428504, 167)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)
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n/an/a 0.120n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045597
PNG
(CHEMBL3314321 | US9428504, 152)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(c(F)cc3O)-c2ccc(F)cc2)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C36H35ClF2N6O2S/c1-35(2,3)19-44-16-14-36(15-17-44)20-45(31-27(46)18-23(39)29(30(31)36)21-8-10-22(38)11-9-21)26-7-5-4-6-24(26)40-33(47)43-34-41-25-12-13-28(37)42-32(25)48-34/h4-13,18,46H,14-17,19-20H2,1-3H3,(H2,40,41,43,47)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015276
PNG
(CHEMBL3263056 | US9428504, 166 | US9428504, 167)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)CC1
Show InChI InChI=1S/C30H32Cl2N6O2S/c1-29(2,3)16-37-14-12-30(13-15-37)17-38(25-22(39)10-8-18(31)24(25)30)21-7-5-4-6-19(21)33-27(40)36-28-34-20-9-11-23(32)35-26(20)41-28/h4-11,39H,12-17H2,1-3H3,(H2,33,34,36,40)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045619
PNG
(CHEMBL3314299)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(Cl)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25ClF3N3O3/c1-29(2)17-37(27-25(38)16-15-22(26(27)29)18-7-9-19(31)10-8-18)24-6-4-3-5-23(24)36-28(39)35-20-11-13-21(14-12-20)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017088
PNG
(CHEMBL3287042 | US9428504, 89)
Show SMILES CN(C)S(=O)(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H40F3N5O5S/c1-31(2,3)20-40-18-16-32(17-19-40)21-41(29-26(42)14-15-27(28(29)32)47(44,45)39(4)5)25-9-7-6-8-24(25)38-30(43)37-22-10-12-23(13-11-22)46-33(34,35)36/h6-15,42H,16-21H2,1-5H3,(H2,37,38,43)
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045624
PNG
(CHEMBL3314304)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1nc2ccc(Cl)nc2s1
Show InChI InChI=1S/C29H23ClFN5O2S/c1-29(2)15-36(25-22(37)13-11-18(24(25)29)16-7-9-17(31)10-8-16)21-6-4-3-5-19(21)32-27(38)35-28-33-20-12-14-23(30)34-26(20)39-28/h3-14,37H,15H2,1-2H3,(H2,32,33,35,38)
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n/an/a 0.130n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045607
PNG
(CHEMBL3314287)
Show SMILES CC1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(Cl)nc2s1
Show InChI InChI=1S/C23H19Cl2N5O2S/c1-23(2)11-30(19-16(31)9-7-12(24)18(19)23)15-6-4-3-5-13(15)26-21(32)29-22-27-14-8-10-17(25)28-20(14)33-22/h3-10,31H,11H2,1-2H3,(H2,26,27,29,32)
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n/an/a 0.140n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017087
PNG
(CHEMBL3287041 | US9428504, 10)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H34F6N4O3/c1-29(2,3)18-41-16-14-30(15-17-41)19-42(27-25(43)13-12-22(26(27)30)31(33,34)35)24-7-5-4-6-23(24)40-28(44)39-20-8-10-21(11-9-20)45-32(36,37)38/h4-13,43H,14-19H2,1-3H3,(H2,39,40,44)
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n/an/a 0.140n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017086
PNG
(CHEMBL3287052 | US9428504, 79)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C33H37F3N4O5/c1-31(2,3)19-39-17-15-32(16-18-39)20-40(28-26(41)14-13-23(27(28)32)29(42)44-4)25-8-6-5-7-24(25)38-30(43)37-21-9-11-22(12-10-21)45-33(34,35)36/h5-14,41H,15-20H2,1-4H3,(H2,37,38,43)
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045615
PNG
(CHEMBL3314297)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1cccc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25F4N3O3/c1-29(2)17-37(27-25(38)15-14-22(26(27)29)18-6-5-7-19(31)16-18)24-9-4-3-8-23(24)36-28(39)35-20-10-12-21(13-11-20)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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n/an/a 0.150n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045605
PNG
(CHEMBL3314319 | US9428504, 157)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(c(F)cc3O)-c2ccc(Cl)cc2)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C37H37ClF4N4O3/c1-35(2,3)21-45-18-16-36(17-19-45)22-46(33-30(47)20-27(39)31(32(33)36)23-8-10-24(38)11-9-23)29-7-5-4-6-28(29)44-34(48)43-25-12-14-26(15-13-25)49-37(40,41)42/h4-15,20,47H,16-19,21-22H2,1-3H3,(H2,43,44,48)
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n/an/a 0.160n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017075
PNG
(CHEMBL3287040 | US9428504, 38)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)cc3s2)CC1
Show InChI InChI=1S/C31H33Cl2N5O2S/c1-30(2,3)17-37-14-12-31(13-15-37)18-38(27-24(39)11-9-20(33)26(27)31)23-7-5-4-6-21(23)34-28(40)36-29-35-22-10-8-19(32)16-25(22)41-29/h4-11,16,39H,12-15,17-18H2,1-3H3,(H2,34,35,36,40)
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n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015277
PNG
(CHEMBL3263057 | US9120798, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H34F3N5OS/c1-30(2,3)19-39-17-15-31(16-18-39)20-40(27-25(41)14-13-22(26(27)31)32(33,34)35)24-12-8-7-11-23(24)36-29-38-37-28(42-29)21-9-5-4-6-10-21/h4-14,41H,15-20H2,1-3H3,(H,36,38)
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n/an/a 0.190n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015296
PNG
(CHEMBL3263076 | US9120798, 13)
Show SMILES Cc1cc(-c2nnc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)s2)n(C)n1
Show InChI InChI=1S/C30H36ClN7OS/c1-19-16-23(36(5)35-19)27-33-34-28(40-27)32-21-8-6-7-9-22(21)38-18-30(25-20(31)10-11-24(39)26(25)38)12-14-37(15-13-30)17-29(2,3)4/h6-11,16,39H,12-15,17-18H2,1-5H3,(H,32,34)
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015287
PNG
(CHEMBL3263067 | US9120798, 2)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C36H42F3N5OS/c1-33(2,3)21-43-19-17-35(18-20-43)22-44(30-28(45)16-15-25(29(30)35)36(37,38)39)27-10-8-7-9-26(27)40-32-42-41-31(46-32)23-11-13-24(14-12-23)34(4,5)6/h7-16,45H,17-22H2,1-6H3,(H,40,42)
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n/an/a 0.210n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017021
PNG
(CHEMBL3287047 | US9428504, 1)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)
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n/an/a 0.230n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045629
PNG
(CHEMBL3314309)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F5N3O3/c1-29(2)16-38(27-24(39)15-21(32)25(26(27)29)17-7-9-18(31)10-8-17)23-6-4-3-5-22(23)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
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Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045604
PNG
(CHEMBL3314317)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ncc(F)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H22F5N5O3/c1-27(2)14-38(24-21(39)11-18(30)22(23(24)27)25-34-12-15(29)13-35-25)20-6-4-3-5-19(20)37-26(40)36-16-7-9-17(10-8-16)41-28(31,32)33/h3-13,39H,14H2,1-2H3,(H2,36,37,40)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015289
PNG
(CHEMBL3263069 | US9120798, 44)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1Nc1nnc(s1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C37H45N5O3S/c1-35(2,3)22-41-20-18-37(19-21-41)23-42(31-29(43)17-16-26(30(31)37)33(44)45-7)28-11-9-8-10-27(28)38-34-40-39-32(46-34)24-12-14-25(15-13-24)36(4,5)6/h8-17,43H,18-23H2,1-7H3,(H,38,40)
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n/an/a 0.320n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


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


(Homo sapiens (Human))
BDBM50423388
PNG
(CHEMBL251024)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1O[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C22H31N7O8S/c1-3-5-8-23-18-15-19(26-22(25-18)38-9-4-2)29(28-27-15)20-17(34)16(33)12(37-20)6-7-13(30)24-11(21(35)36)10-14(31)32/h6-7,11-12,16-17,20,33-34H,3-5,8-10H2,1-2H3,(H,24,30)(H,31,32)(H,35,36)(H,23,25,26)/b7-6+/t11-,12+,16+,17+,20+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045617
PNG
(CHEMBL3314298)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25F4N3O3/c1-29(2)17-37(27-25(38)16-15-22(26(27)29)18-7-9-19(31)10-8-18)24-6-4-3-5-23(24)36-28(39)35-20-11-13-21(14-12-20)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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n/an/a 0.330n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015288
PNG
(CHEMBL3263068 | US9120798, 46)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C36H42N6OS/c1-34(2,3)22-41-19-17-36(18-20-41)23-42(31-29(43)16-13-25(21-37)30(31)36)28-10-8-7-9-27(28)38-33-40-39-32(44-33)24-11-14-26(15-12-24)35(4,5)6/h7-16,43H,17-20,22-23H2,1-6H3,(H,38,40)
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n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045613
PNG
(CHEMBL3314296)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccccc1F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25F4N3O3/c1-29(2)17-37(27-25(38)16-15-21(26(27)29)20-7-3-4-8-22(20)31)24-10-6-5-9-23(24)36-28(39)35-18-11-13-19(14-12-18)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045612
PNG
(CHEMBL3314295)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccccc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H26F3N3O3/c1-29(2)18-36(27-25(37)17-16-22(26(27)29)19-8-4-3-5-9-19)24-11-7-6-10-23(24)35-28(38)34-20-12-14-21(15-13-20)39-30(31,32)33/h3-17,37H,18H2,1-2H3,(H2,34,35,38)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50017091
PNG
(CHEMBL3287045 | US9428504, 6)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H34F4N4O3/c1-29(2,3)18-38-16-14-30(15-17-38)19-39(27-25(40)13-12-22(32)26(27)30)24-7-5-4-6-23(24)37-28(41)36-20-8-10-21(11-9-20)42-31(33,34)35/h4-13,40H,14-19H2,1-3H3,(H2,36,37,41)
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045608
PNG
(CHEMBL3314288)
Show SMILES CC1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H21ClF3N3O3/c1-23(2)13-31(21-19(32)12-11-16(25)20(21)23)18-6-4-3-5-17(18)30-22(33)29-14-7-9-15(10-8-14)34-24(26,27)28/h3-12,32H,13H2,1-2H3,(H2,29,30,33)
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n/an/a 0.390n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


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


(Homo sapiens (Human))
BDBM50118225
PNG
(ARL 69931MX | Adenosine triphosphate derivative | ...)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
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n/an/a 0.398n/an/an/an/an/an/a



Galecto Biotech, Sahlgrenska Science Park, Medicinaregatan 8A, S-413 46 Gothenburg, Sweden. Electronic address: FZ@Galecto.com.

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method


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


(Homo sapiens (Human))
BDBM50118225
PNG
(ARL 69931MX | Adenosine triphosphate derivative | ...)
Show SMILES CSCCNc1nc(SCCC(F)(F)F)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against platelet P2Y purinoceptor 12 (P2Y12)


J Med Chem 45: 4057-93 (2002)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045631
PNG
(CHEMBL3314310)
Show SMILES CC1(C)CN(c2c1c(cc(F)c2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F5N3O3/c1-29(2)16-38(26-25(29)21(15-22(32)27(26)39)17-7-9-18(31)10-8-17)24-6-4-3-5-23(24)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
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n/an/a 0.450n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045603
PNG
(CHEMBL3314316)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
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n/an/a 0.470n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


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


(Homo sapiens (Human))
BDBM50423387
PNG
(CHEMBL437204)
Show SMILES CCCCNc1nc(SCCC)nc2n(nnc12)[C@@H]1C[C@H](\C=C\C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H33N7O7S/c1-3-5-8-24-20-17-21(27-23(26-20)38-9-4-2)30(29-28-17)14-10-12(18(34)19(14)35)6-7-15(31)25-13(22(36)37)11-16(32)33/h6-7,12-14,18-19,34-35H,3-5,8-11H2,1-2H3,(H,25,31)(H,32,33)(H,36,37)(H,24,26,27)/b7-6+/t12-,13-,14+,18+,19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y12 receptor assessed as ADP-induced human platelet aggregation


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045601
PNG
(CHEMBL3314315)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(nc1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H23F7N4O3/c1-28(2)15-41(26-22(42)13-19(31)24(25(26)28)16-7-12-23(38-14-16)29(32,33)34)21-6-4-3-5-20(21)40-27(43)39-17-8-10-18(11-9-17)44-30(35,36)37/h3-14,42H,15H2,1-2H3,(H2,39,40,43)
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n/an/a 0.510n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045621
PNG
(CHEMBL3314301)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cc1F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F5N3O3/c1-29(2)16-38(27-25(39)14-13-21(26(27)29)20-12-7-17(31)15-22(20)32)24-6-4-3-5-23(24)37-28(40)36-18-8-10-19(11-9-18)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
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n/an/a 0.520n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045623
PNG
(CHEMBL3314303)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1cc(F)cc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F5N3O3/c1-29(2)16-38(27-25(39)12-11-22(26(27)29)17-13-18(31)15-19(32)14-17)24-6-4-3-5-23(24)37-28(40)36-20-7-9-21(10-8-20)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
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n/an/a 0.570n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045600
PNG
(CHEMBL3314314)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(cn1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H23F7N4O3/c1-28(2)15-41(26-23(42)13-19(31)24(25(26)28)21-12-7-16(14-38-21)29(32,33)34)22-6-4-3-5-20(22)40-27(43)39-17-8-10-18(11-9-17)44-30(35,36)37/h3-14,42H,15H2,1-2H3,(H2,39,40,43)
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n/an/a 0.570n/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50015291
PNG
(CHEMBL3263071 | US9120798, 26)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H33ClF3N5O2S/c1-30(2,3)18-40-16-14-31(15-17-40)19-41(27-25(42)13-12-22(33)26(27)31)24-7-5-4-6-23(24)37-29-39-38-28(44-29)20-8-10-21(11-9-20)43-32(34,35)36/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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n/an/a 0.630n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of P2Y1 receptor in human washed platelets assessed as decrease in 2-methylthio-ADP-induced calcium signal transduction pathway activation...


Citation and Details
More data for this
Ligand-Target Pair
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