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Compile Data Set for Download or QSAR

Found 1024 hits of ki data for polymerid = 50000731,7673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373326
PNG
(CHEMBL444278)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50373326
PNG
(CHEMBL444278)
Show SMILES CNc1nc(I)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18IN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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0.780n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human P2Y1 receptor


Bioorg Med Chem Lett 18: 3338-43 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM261048
PNG
(US9540323, 269 | US9540323, example 269)
Show SMILES CC1(C)CN(c2c1c(-c1cc(no1)C(F)(F)F)c(F)cc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C24H18ClF4N5O3S/c1-23(2)10-34(13-6-4-3-5-12(13)30-22(36)32-17-9-38-21(25)31-17)20-14(35)7-11(26)18(19(20)23)15-8-16(33-37-15)24(27,28)29/h3-9,35H,10H2,1-2H3,(H2,30,32,36)
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1.20 -12.2n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM261048
PNG
(US9540323, 269 | US9540323, example 269)
Show SMILES CC1(C)CN(c2c1c(-c1cc(no1)C(F)(F)F)c(F)cc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C24H18ClF4N5O3S/c1-23(2)10-34(13-6-4-3-5-12(13)30-22(36)32-17-9-38-21(25)31-17)20-14(35)7-11(26)18(19(20)23)15-8-16(33-37-15)24(27,28)29/h3-9,35H,10H2,1-2H3,(H2,30,32,36)
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1.20 -12.2n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM245383
PNG
(US9428504, 133)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)-c2nc3cc(Cl)ccc3s2)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1
Show InChI InChI=1S/C38H36ClFN6O2S2/c1-37(2,3)20-45-16-14-38(15-17-45)21-46(33-29(47)12-10-24(32(33)38)34-41-27-18-22(39)8-13-30(27)49-34)28-7-5-4-6-25(28)42-35(48)44-36-43-26-11-9-23(40)19-31(26)50-36/h4-13,18-19,47H,14-17,20-21H2,1-3H3,(H2,42,43,44,48)
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1.20 -12.2n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245297
PNG
(US9428504, 35)
Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3F)n1
Show InChI InChI=1S/C29H37FN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)
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1.90 -11.9n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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


(Homo sapiens (Human))
BDBM50409757
PNG
(CHEMBL2112864)
Show SMILES CNc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C13H18ClN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7+,8+,13+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260841
PNG
(US9540323, 27 | US9540323, example 27)
Show SMILES CCc1ccc(NC(=O)Nc2ccccc2N2CC(CC)(CC)c3c2c(O)ccc3F)cc1
Show InChI InChI=1S/C27H30FN3O2/c1-4-18-11-13-19(14-12-18)29-26(33)30-21-9-7-8-10-22(21)31-17-27(5-2,6-3)24-20(28)15-16-23(32)25(24)31/h7-16,32H,4-6,17H2,1-3H3,(H2,29,30,33)
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3.10 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260841
PNG
(US9540323, 27 | US9540323, example 27)
Show SMILES CCc1ccc(NC(=O)Nc2ccccc2N2CC(CC)(CC)c3c2c(O)ccc3F)cc1
Show InChI InChI=1S/C27H30FN3O2/c1-4-18-11-13-19(14-12-18)29-26(33)30-21-9-7-8-10-22(21)31-17-27(5-2,6-3)24-20(28)15-16-23(32)25(24)31/h7-16,32H,4-6,17H2,1-3H3,(H2,29,30,33)
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3.10 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM245282
PNG
(US9428504, 20)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C31H33F5N4O2/c1-29(2,3)17-39-14-12-30(13-15-39)18-40(27-25(41)11-9-20(26(27)30)31(34,35)36)24-7-5-4-6-23(24)38-28(42)37-22-10-8-19(32)16-21(22)33/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)
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3.20 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260928
PNG
(US9540323, 119 | US9540323, example 119)
Show SMILES Cc1cc(cnc1F)-c1ccc(O)c2N(CC(C)(C)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H26F4N4O3/c1-17-14-18(15-35-27(17)31)21-12-13-24(39)26-25(21)29(2,3)16-38(26)23-7-5-4-6-22(23)37-28(40)36-19-8-10-20(11-9-19)41-30(32,33)34/h4-15,39H,16H2,1-3H3,(H2,36,37,40)
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3.30 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260845
PNG
(US9540323, 31 | US9540323, example 31)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C22H22ClFN4O2S/c1-3-22(4-2)12-28(19-16(29)10-9-13(24)18(19)22)15-8-6-5-7-14(15)25-21(30)27-17-11-31-20(23)26-17/h5-11,29H,3-4,12H2,1-2H3,(H2,25,27,30)
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3.30 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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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3.30 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245302
PNG
(US9428504, 42)
Show SMILES Cc1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1
Show InChI InChI=1S/C27H33ClN6O2S/c1-17-29-25(37-32-17)31-24(36)30-19-7-5-6-8-20(19)34-16-27(22-18(28)9-10-21(35)23(22)34)11-13-33(14-12-27)15-26(2,3)4/h5-10,35H,11-16H2,1-4H3,(H2,29,30,31,32,36)
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3.30 -11.6n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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


(Homo sapiens (Human))
BDBM260928
PNG
(US9540323, 119 | US9540323, example 119)
Show SMILES Cc1cc(cnc1F)-c1ccc(O)c2N(CC(C)(C)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H26F4N4O3/c1-17-14-18(15-35-27(17)31)21-12-13-24(39)26-25(21)29(2,3)16-38(26)23-7-5-4-6-22(23)37-28(40)36-19-8-10-20(11-9-19)41-30(32,33)34/h4-15,39H,16H2,1-3H3,(H2,36,37,40)
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3.30 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM260845
PNG
(US9540323, 31 | US9540323, example 31)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C22H22ClFN4O2S/c1-3-22(4-2)12-28(19-16(29)10-9-13(24)18(19)22)15-8-6-5-7-14(15)25-21(30)27-17-11-31-20(23)26-17/h5-11,29H,3-4,12H2,1-2H3,(H2,25,27,30)
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3.30 -11.6n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245275
PNG
(US9428504, 13)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ncccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C34H42F3N5O2/c1-31(2,3)20-41-18-15-33(16-19-41)21-42(28-26(43)14-13-24(27(28)33)34(35,36)37)29-25(8-7-17-38-29)40-30(44)39-23-11-9-22(10-12-23)32(4,5)6/h7-14,17,43H,15-16,18-21H2,1-6H3,(H2,39,40,44)
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3.30 -11.6n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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


(Homo sapiens (Human))
BDBM245342
PNG
(US9428504, 91)
Show SMILES CCN(CC)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/C35H44F3N5O5S/c1-6-42(7-2)49(46,47)29-17-16-28(44)31-30(29)34(18-20-41(21-19-34)22-33(3,4)5)23-43(31)27-11-9-8-10-26(27)40-32(45)39-24-12-14-25(15-13-24)48-35(36,37)38/h8-17,44H,6-7,18-23H2,1-5H3,(H2,39,40,45)
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3.40 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260816
PNG
(US9540323, 2 | US9540323, example 2)
Show SMILES CC(C)(C)CN1CCC(CC1)c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3C(F)(F)F)cc1
Show InChI InChI=1S/C34H41F3N4O2/c1-32(2,3)20-40-18-16-23(17-19-40)22-10-12-24(13-11-22)38-31(43)39-26-8-6-7-9-27(26)41-21-33(4,5)29-25(34(35,36)37)14-15-28(42)30(29)41/h6-15,23,42H,16-21H2,1-5H3,(H2,38,39,43)
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3.40 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM260932
PNG
(US9540323, 124 | US9540323, example 124)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1nccs1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O3S/c1-26(2)15-34(23-21(35)12-11-18(22(23)26)24-31-13-14-38-24)20-6-4-3-5-19(20)33-25(36)32-16-7-9-17(10-8-16)37-27(28,29)30/h3-14,35H,15H2,1-2H3,(H2,32,33,36)
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3.40 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260932
PNG
(US9540323, 124 | US9540323, example 124)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1nccs1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H23F3N4O3S/c1-26(2)15-34(23-21(35)12-11-18(22(23)26)24-31-13-14-38-24)20-6-4-3-5-19(20)33-25(36)32-16-7-9-17(10-8-16)37-27(28,29)30/h3-14,35H,15H2,1-2H3,(H2,32,33,36)
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3.40 -10.7n/an/an/an/an/an/a4



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay A: A membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors. The cDNA clone fo...


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


(Homo sapiens (Human))
BDBM260816
PNG
(US9540323, 2 | US9540323, example 2)
Show SMILES CC(C)(C)CN1CCC(CC1)c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3C(F)(F)F)cc1
Show InChI InChI=1S/C34H41F3N4O2/c1-32(2,3)20-40-18-16-23(17-19-40)22-10-12-24(13-11-22)38-31(43)39-26-8-6-7-9-27(26)41-21-33(4,5)29-25(34(35,36)37)14-15-28(42)30(29)41/h6-15,23,42H,16-21H2,1-5H3,(H2,38,39,43)
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3.40 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245341
PNG
(US9428504, 90)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C38H53N5O4S/c1-9-42(10-2)48(46,47)32-20-19-31(44)34-33(32)38(21-23-41(24-22-38)25-36(3,4)5)26-43(34)30-14-12-11-13-29(30)40-35(45)39-28-17-15-27(16-18-28)37(6,7)8/h11-20,44H,9-10,21-26H2,1-8H3,(H2,39,40,45)
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3.5 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260843
PNG
(US9540323, 29 | US9540323, example 29)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)(C)C
Show InChI InChI=1/C34H43FN4O2/c1-6-34(7-2)22-39(31-29(40)19-18-25(35)30(31)34)28-12-9-8-11-26(28)37-32(41)36-24-16-14-23(15-17-24)27-13-10-20-38(27)21-33(3,4)5/h8-9,11-12,14-19,27,40H,6-7,10,13,20-22H2,1-5H3,(H2,36,37,41)
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3.60 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM260843
PNG
(US9540323, 29 | US9540323, example 29)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)(C)C
Show InChI InChI=1/C34H43FN4O2/c1-6-34(7-2)22-39(31-29(40)19-18-25(35)30(31)34)28-12-9-8-11-26(28)37-32(41)36-24-16-14-23(15-17-24)27-13-10-20-38(27)21-33(3,4)5/h8-9,11-12,14-19,27,40H,6-7,10,13,20-22H2,1-5H3,(H2,36,37,41)
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3.60 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM50409764
PNG
(CHEMBL2112867)
Show SMILES CNc1nc(C)nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C14H21N5O8P2/c1-7-17-12(15-2)11-13(18-7)19(6-16-11)9-3-10(27-29(23,24)25)14(4-8(9)14)5-26-28(20,21)22/h6,8-10H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t8-,9+,10+,14+/m1/s1
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3.60n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245340
PNG
(US9428504, 85)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2csc(Cl)n2)CC1
Show InChI InChI=1S/C28H31ClN6O2S/c1-27(2,3)16-34-12-10-28(11-13-34)17-35(24-21(36)9-8-18(14-30)23(24)28)20-7-5-4-6-19(20)31-26(37)33-22-15-38-25(29)32-22/h4-9,15,36H,10-13,16-17H2,1-3H3,(H2,31,33,37)
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3.70 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245295
PNG
(US9428504, 33)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2nc3ccc(Cl)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(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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3.70 -11.5n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245296
PNG
(US9428504, 34)
Show SMILES Cc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4F)sc2c1
Show InChI InChI=1S/C32H36FN5O2S/c1-20-9-11-23-26(17-20)41-30(35-23)36-29(40)34-22-7-5-6-8-24(22)38-19-32(27-21(33)10-12-25(39)28(27)38)13-15-37(16-14-32)18-31(2,3)4/h5-12,17,39H,13-16,18-19H2,1-4H3,(H2,34,35,36,40)
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3.70 -11.5n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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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3.80 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245414
PNG
(US9428504, 173)
Show SMILES COc1ccc2nc(NC(=O)Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4F)sc2n1
Show InChI InChI=1S/C31H35FN6O3S/c1-30(2,3)17-37-15-13-31(14-16-37)18-38(26-23(39)11-9-19(32)25(26)31)22-8-6-5-7-20(22)33-28(40)36-29-34-21-10-12-24(41-4)35-27(21)42-29/h5-12,39H,13-18H2,1-4H3,(H2,33,34,36,40)
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3.80 -11.5n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245271
PNG
(US9428504, 7)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2NC(=O)Nc2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C34H43FN4O2/c1-32(2,3)21-38-19-17-34(18-20-38)22-39(30-28(40)16-15-25(35)29(30)34)27-10-8-7-9-26(27)37-31(41)36-24-13-11-23(12-14-24)33(4,5)6/h7-16,40H,17-22H2,1-6H3,(H2,36,37,41)
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4 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to P2Y1 receptor in human platelets


Bioorg Med Chem Lett 24: 1294-8 (2014)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260870
PNG
(US9540323, 58 | US9540323, example 58)
Show SMILES CC1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C20H18Cl2N4O2S/c1-20(2)10-26(17-14(27)8-7-11(21)16(17)20)13-6-4-3-5-12(13)23-19(28)25-15-9-29-18(22)24-15/h3-9,27H,10H2,1-2H3,(H2,23,25,28)
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4.10 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260934
PNG
(US9540323, 126 | US9540323, example 126)
Show SMILES CC(C)c1cnc(nc1)-c1ccc(O)c2N(CC(C)(C)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C31H30F3N5O3/c1-18(2)19-15-35-28(36-16-19)22-13-14-25(40)27-26(22)30(3,4)17-39(27)24-8-6-5-7-23(24)38-29(41)37-20-9-11-21(12-10-20)42-31(32,33)34/h5-16,18,40H,17H2,1-4H3,(H2,37,38,41)
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4.10 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260870
PNG
(US9540323, 58 | US9540323, example 58)
Show SMILES CC1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C20H18Cl2N4O2S/c1-20(2)10-26(17-14(27)8-7-11(21)16(17)20)13-6-4-3-5-12(13)23-19(28)25-15-9-29-18(22)24-15/h3-9,27H,10H2,1-2H3,(H2,23,25,28)
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4.10 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM260934
PNG
(US9540323, 126 | US9540323, example 126)
Show SMILES CC(C)c1cnc(nc1)-c1ccc(O)c2N(CC(C)(C)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C31H30F3N5O3/c1-18(2)19-15-35-28(36-16-19)22-13-14-25(40)27-26(22)30(3,4)17-39(27)24-8-6-5-7-23(24)38-29(41)37-20-9-11-21(12-10-20)42-31(32,33)34/h5-16,18,40H,17H2,1-4H3,(H2,37,38,41)
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4.10 -10.6n/an/an/an/an/an/a4



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay A: A membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors. The cDNA clone fo...


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


(Homo sapiens (Human))
BDBM50445214
PNG
(CHEMBL3104636)
Show SMILES CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C31H35F3N4O2/c1-29(2,3)20-37-18-16-30(17-19-37)21-38(26-10-6-4-8-24(26)30)27-11-7-5-9-25(27)36-28(39)35-22-12-14-23(15-13-22)40-31(32,33)34/h4-15H,16-21H2,1-3H3,(H2,35,36,39)
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4.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)

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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4.40 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM245303
PNG
(US9428504, 43)
Show SMILES CC(C)c1nsc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)n1
Show InChI InChI=1S/C29H37ClN6O2S/c1-18(2)25-32-27(39-34-25)33-26(38)31-20-8-6-7-9-21(20)36-17-29(23-19(30)10-11-22(37)24(23)36)12-14-35(15-13-29)16-28(3,4)5/h6-11,18,37H,12-17H2,1-5H3,(H2,31,32,33,34,38)
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4.40 -11.4n/an/an/an/an/an/a25



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding reactions were performed in WGA FLASHPLATEs (PerkinElmer Life Sciences, Cat # SMP105A) in a volume of 200 uL containing 45 fmol of P2Y1 recep...


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More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245284
PNG
(US9428504, 22)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C32H34F6N4O2/c1-29(2,3)18-41-16-14-30(15-17-41)19-42(27-25(43)13-12-22(26(27)30)32(36,37)38)24-7-5-4-6-23(24)40-28(44)39-21-10-8-20(9-11-21)31(33,34)35/h4-13,43H,14-19H2,1-3H3,(H2,39,40,44)
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US Patent
4.40 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260931
PNG
(US9540323, 123 | US9540323, example 123)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H24F4N4O3/c1-28(2)16-37(26-24(38)14-12-20(25(26)28)21-13-7-17(30)15-34-21)23-6-4-3-5-22(23)36-27(39)35-18-8-10-19(11-9-18)40-29(31,32)33/h3-15,38H,16H2,1-2H3,(H2,35,36,39)
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4.5 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260885
PNG
(US9540323, 73 | US9540323, example 73)
Show SMILES CCC1(CC)CN(c2c1c(C=O)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H26F3N3O4/c1-3-26(4-2)16-33(24-22(35)14-9-17(15-34)23(24)26)21-8-6-5-7-20(21)32-25(36)31-18-10-12-19(13-11-18)37-27(28,29)30/h5-15,35H,3-4,16H2,1-2H3,(H2,31,32,36)
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4.5 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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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4.5 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260931
PNG
(US9540323, 123 | US9540323, example 123)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H24F4N4O3/c1-28(2)16-37(26-24(38)14-12-20(25(26)28)21-13-7-17(30)15-34-21)23-6-4-3-5-22(23)36-27(39)35-18-8-10-19(11-9-18)40-29(31,32)33/h3-15,38H,16H2,1-2H3,(H2,35,36,39)
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4.5 -10.6n/an/an/an/an/an/a4



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay A: A membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors. The cDNA clone fo...


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


(Homo sapiens (Human))
BDBM260885
PNG
(US9540323, 73 | US9540323, example 73)
Show SMILES CCC1(CC)CN(c2c1c(C=O)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H26F3N3O4/c1-3-26(4-2)16-33(24-22(35)14-9-17(15-34)23(24)26)21-8-6-5-7-20(21)32-25(36)31-18-10-12-19(13-11-18)37-27(28,29)30/h5-15,35H,3-4,16H2,1-2H3,(H2,31,32,36)
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4.5 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
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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4.60 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay B: A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 rece...


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


(Homo sapiens (Human))
BDBM50445208
PNG
(CHEMBL3105199)
Show SMILES CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc21
Show InChI InChI=1S/C32H37F3N4O2/c1-30(2,3)22-38-19-16-31(17-20-38)18-21-39(27-10-6-4-8-25(27)31)28-11-7-5-9-26(28)37-29(40)36-23-12-14-24(15-13-23)41-32(33,34)35/h4-15H,16-22H2,1-3H3,(H2,36,37,40)
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4.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


J Med Chem 56: 9275-95 (2013)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045627
PNG
(CHEMBL3314307 | US9540323, 200 | US9540323, exampl...)
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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4.60 -11.4n/an/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
A SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors (The P2Y1 receptor membranes we...


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


(Homo sapiens (Human))
BDBM260935
PNG
(US9540323, 127 | US9540323, example 127)
Show SMILES CC(C)c1nc(cs1)-c1ccc(O)c2N(CC(C)(C)c12)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H29F3N4O3S/c1-17(2)27-35-22(15-41-27)20-13-14-24(38)26-25(20)29(3,4)16-37(26)23-8-6-5-7-21(23)36-28(39)34-18-9-11-19(12-10-18)40-30(31,32)33/h5-15,17,38H,16H2,1-4H3,(H2,34,36,39)
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4.70 -10.6n/an/an/an/an/an/a4



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay A: A membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Y1 receptors. The cDNA clone fo...


Citation and Details
More data for this
Ligand-Target Pair
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