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Compile Data Set for Download or QSAR

Found 751 hits with Last Name = 'thibeault' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor 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 -50.9n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -50.9n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -49.8n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.6n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -48.5n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -48.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -48.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.3n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -44.9n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -48.3n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.3n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.2n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -48.1n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.1n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.1n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.1n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -48.1n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -47.9n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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)


Article DOI: 10.1016/j.bmcl.2014.01.066
BindingDB Entry DOI: 10.7270/Q20G3MQF
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 -47.9n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -44.5n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
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 -47.7n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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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4.40 -47.7n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -47.7n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -47.6n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -47.6n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
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 -44.3n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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)


Article DOI: 10.1021/jm4013906
BindingDB Entry DOI: 10.7270/Q2KW5HHP
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 -47.6n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260987
PNG
(US9540323, 188 | US9540323, example 188)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(F)nc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H23F5N4O3/c1-28(2)15-38(26-22(39)13-19(30)24(25(26)28)16-7-12-23(31)35-14-16)21-6-4-3-5-20(21)37-27(40)36-17-8-10-18(11-9-17)41-29(32,33)34/h3-14,39H,15H2,1-2H3,(H2,36,37,40)
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4.70 -47.5n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
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 -44.2n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260933
PNG
(US9540323, 125 | US9540323, example 125)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(cn1)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F6N4O3/c1-28(2)16-40(26-24(41)14-12-20(25(26)28)21-13-7-17(15-37-21)29(31,32)33)23-6-4-3-5-22(23)39-27(42)38-18-8-10-19(11-9-18)43-30(34,35)36/h3-15,41H,16H2,1-2H3,(H2,38,39,42)
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4.80 -44.1n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245287
PNG
(US9428504, 25)
Show SMILES Cc1nc(NC(=O)Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3C(F)(F)F)cs1
Show InChI InChI=1S/C29H34F3N5O2S/c1-18-33-23(15-40-18)35-26(39)34-20-7-5-6-8-21(20)37-17-28(11-13-36(14-12-28)16-27(2,3)4)24-19(29(30,31)32)9-10-22(38)25(24)37/h5-10,15,38H,11-14,16-17H2,1-4H3,(H2,34,35,39)
PDB

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4.90 -47.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260996
PNG
(US9540323, 212 | US9540323, example 212)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C26H21ClF2N4O2S/c1-26(2)13-33(18-6-4-3-5-17(18)30-25(35)32-20-12-36-24(27)31-20)23-19(34)11-16(29)21(22(23)26)14-7-9-15(28)10-8-14/h3-12,34H,13H2,1-2H3,(H2,30,32,35)
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4.90 -47.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260817
PNG
(US9540323, 3 | US9540323, example 3)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)NC1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C25H28F6N4O2/c1-23(2)13-35(21-19(36)8-7-16(20(21)23)25(29,30)31)18-6-4-3-5-17(18)33-22(37)32-15-9-11-34(12-10-15)14-24(26,27)28/h3-8,15,36H,9-14H2,1-2H3,(H2,32,33,37)
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4.90 -47.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245320
PNG
(US9428504, 63)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2NC(=O)Nc2csc(n2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H31ClF3N5O2S/c1-26(2,3)15-36-12-10-27(11-13-36)16-37(23-20(38)9-8-17(29)22(23)27)19-7-5-4-6-18(19)33-25(39)35-21-14-40-24(34-21)28(30,31)32/h4-9,14,38H,10-13,15-16H2,1-3H3,(H2,33,35,39)
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4.90 -47.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045625
PNG
(CHEMBL3314305 | US9540323, 198 | US9540323, exampl...)
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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4.90 -47.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245336
PNG
(US9428504, 81)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2NC(=O)Nc2nc3ccc(F)cc3s2)CC1
Show InChI InChI=1S/C32H33FN6O2S/c1-31(2,3)18-38-14-12-32(13-15-38)19-39(28-25(40)11-8-20(17-34)27(28)32)24-7-5-4-6-22(24)35-29(41)37-30-36-23-10-9-21(33)16-26(23)42-30/h4-11,16,40H,12-15,18-19H2,1-3H3,(H2,35,36,37,41)
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5 -47.4n/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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260866
PNG
(US9540323, 53 | US9540323, example 53)
Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C22H22Cl2N4O2S/c1-3-22(4-2)12-28(19-16(29)10-9-13(23)18(19)22)15-8-6-5-7-14(15)25-21(30)27-17-11-31-20(24)26-17/h5-11,29H,3-4,12H2,1-2H3,(H2,25,27,30)
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5 -47.4n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260826
PNG
(US9540323, 12 | US9540323, example 12)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H21F6N3O3/c1-23(2)13-34(21-19(35)12-11-16(20(21)23)24(26,27)28)18-6-4-3-5-17(18)33-22(36)32-14-7-9-15(10-8-14)37-25(29,30)31/h3-12,35H,13H2,1-2H3,(H2,32,33,36)
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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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260840
PNG
(US9540323, 26 | US9540323, example 26)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H34FN3O2/c1-6-29(7-2)18-33(26-24(34)17-16-21(30)25(26)29)23-11-9-8-10-22(23)32-27(35)31-20-14-12-19(13-15-20)28(3,4)5/h8-17,34H,6-7,18H2,1-5H3,(H2,31,32,35)
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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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM245277
PNG
(US9428504, 15)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2NC(=O)Nc2ccc(F)c(F)c2)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)37-19-8-10-21(32)22(33)16-19/h4-11,16,41H,12-15,17-18H2,1-3H3,(H2,37,38,42)
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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...


US Patent US9428504 (2016)


BindingDB Entry DOI: 10.7270/Q24748SD
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260844
PNG
(US9540323, 30 | US9540323, example 30)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)C
Show InChI InChI=1/C33H41FN4O2/c1-5-33(6-2)21-38(31-29(39)18-17-25(34)30(31)33)28-11-8-7-10-26(28)36-32(40)35-24-15-13-23(14-16-24)27-12-9-19-37(27)20-22(3)4/h7-8,10-11,13-18,22,27,39H,5-6,9,12,19-21H2,1-4H3,(H2,35,36,40)
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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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50045623
PNG
(CHEMBL3314303 | US9540323, 197 | US9540323, exampl...)
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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5.10 -47.3n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260828
PNG
(US9540323, 14 | US9540323, example 14)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H20F5N3O2/c1-23(2)12-32(21-19(33)10-8-14(20(21)23)24(27,28)29)18-6-4-3-5-17(18)31-22(34)30-16-9-7-13(25)11-15(16)26/h3-11,33H,12H2,1-2H3,(H2,30,31,34)
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5.20 -47.3n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM260873
PNG
(US9540323, 61 | US9540323, example 61)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1cccc(F)c1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H19F6N3O2/c1-23(2)11-33(21-18(34)9-7-13(19(21)23)24(28,29)30)17-5-3-4-14(26)20(17)32-22(35)31-16-8-6-12(25)10-15(16)27/h3-10,34H,11H2,1-2H3,(H2,31,32,35)
PDB

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5.20 -47.3n/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...


US Patent US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q2M61J7D
More data for this
Ligand-Target Pair
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