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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 7144   
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
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177997
PNG
(US9120798, 45)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C#N)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C33H33F3N6OS/c1-31(2,3)19-41-16-14-32(15-17-41)20-42(28-26(43)13-10-22(18-37)27(28)32)25-7-5-4-6-24(25)38-30-40-39-29(44-30)21-8-11-23(12-9-21)33(34,35)36/h4-13,43H,14-17,19-20H2,1-3H3,(H,38,40)
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n/an/a 3n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177970
PNG
(US9120798, 7)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C32H33ClF3N5OS/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(43-29)20-8-10-21(11-9-20)32(34,35)36/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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n/an/a 3.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015290
PNG
(CHEMBL3263070 | US9120798, 30)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H33F4N5O2S/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 5n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177975
PNG
(US9120798, 15)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(nc2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-23(42)10-9-20(32)25(26)30)22-7-5-4-6-21(22)37-28-39-38-27(43-28)19-8-11-24(36-16-19)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)
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n/an/a 5.70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015278
PNG
(CHEMBL3263058 | US9120798, 35)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(ns2)-c2ccccc2)CC1
Show InChI InChI=1S/C31H34ClN5OS/c1-30(2,3)19-36-17-15-31(16-18-36)20-37(27-25(38)14-13-22(32)26(27)31)24-12-8-7-11-23(24)33-29-34-28(35-39-29)21-9-5-4-6-10-21/h4-14,38H,15-20H2,1-3H3,(H,33,34,35)
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n/an/a 6n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177986
PNG
(US9120798, 31)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H33ClFN5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-7-5-4-6-23(24)34-29-36-35-28(40-29)20-8-10-21(32)11-9-20/h4-13,39H,14-19H2,1-3H3,(H,34,36)
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n/an/a 6n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177957
PNG
(US9120798, Comparator 2)
Show SMILES CCOC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc23)nc1C(F)(F)F
Show InChI InChI=1S/C30H35F3N4O2S/c1-5-39-26(38)24-25(30(31,32)33)35-27(40-24)34-21-11-7-9-13-23(21)37-19-29(20-10-6-8-12-22(20)37)14-16-36(17-15-29)18-28(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,34,35)
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n/an/a 6.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015295
PNG
(CHEMBL3263075 | US9120798, 12)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnccn2)CC1
Show InChI InChI=1S/C29H32ClN7OS/c1-28(2,3)17-36-14-10-29(11-15-36)18-37(25-23(38)9-8-19(30)24(25)29)22-7-5-4-6-20(22)33-27-35-34-26(39-27)21-16-31-12-13-32-21/h4-9,12-13,16,38H,10-11,14-15,17-18H2,1-3H3,(H,33,35)
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n/an/a 6.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 6.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177984
PNG
(US9120798, 28)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccccn2)CC1
Show InChI InChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-16-13-30(14-17-36)19-37(26-24(38)12-11-20(31)25(26)30)23-10-5-4-8-21(23)33-28-35-34-27(39-28)22-9-6-7-15-32-22/h4-12,15,38H,13-14,16-19H2,1-3H3,(H,33,35)
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n/an/a 6.80n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177971
PNG
(US9120798, 8)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(cn2)C(F)(F)F)CC1
Show InChI InChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-24(42)11-9-20(32)25(26)30)23-7-5-4-6-21(23)37-28-39-38-27(43-28)22-10-8-19(16-36-22)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)
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n/an/a 7n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177959
PNG
(US9120798, Comparator 4)
Show SMILES CC(C)(C)CN1CCC2(CN(c3ccccc23)c2ccccc2Nc2nc(c(s2)-c2ccccc2)C(F)(F)F)CC1
Show InChI InChI=1S/C33H35F3N4S/c1-31(2,3)21-39-19-17-32(18-20-39)22-40(26-15-9-7-13-24(26)32)27-16-10-8-14-25(27)37-30-38-29(33(34,35)36)28(41-30)23-11-5-4-6-12-23/h4-16H,17-22H2,1-3H3,(H,37,38)
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n/an/a 7.90n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 8n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177996
PNG
(US9120798, 43)
Show SMILES COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1Nc1nnc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C34H36F3N5O3S/c1-32(2,3)19-41-17-15-33(16-18-41)20-42(28-26(43)14-13-23(27(28)33)30(44)45-4)25-8-6-5-7-24(25)38-31-40-39-29(46-31)21-9-11-22(12-10-21)34(35,36)37/h5-14,43H,15-20H2,1-4H3,(H,38,40)
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n/an/a 8n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177990
PNG
(US9120798, 36)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(ns2)C(C)(C)C)CC1
Show InChI InChI=1S/C29H38ClN5OS/c1-27(2,3)17-34-15-13-29(14-16-34)18-35(24-22(36)12-11-19(30)23(24)29)21-10-8-7-9-20(21)31-26-32-25(33-37-26)28(4,5)6/h7-12,36H,13-18H2,1-6H3,(H,31,32,33)
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n/an/a 8n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177992
PNG
(US9120798, 39)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nc(c(s2)C#N)C(C)(C)C)CC1
Show InChI InChI=1S/C31H38ClN5OS/c1-29(2,3)18-36-15-13-31(14-16-36)19-37(26-23(38)12-11-20(32)25(26)31)22-10-8-7-9-21(22)34-28-35-27(30(4,5)6)24(17-33)39-28/h7-12,38H,13-16,18-19H2,1-6H3,(H,34,35)
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n/an/a 9n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 10n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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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US Patent
n/an/a 10n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177969
PNG
(US9120798, 6)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccccn2)CC1
Show InChI InChI=1S/C31H33F3N6OS/c1-29(2,3)18-39-16-13-30(14-17-39)19-40(26-24(41)12-11-20(25(26)30)31(32,33)34)23-10-5-4-8-21(23)36-28-38-37-27(42-28)22-9-6-7-15-35-22/h4-12,15,41H,13-14,16-19H2,1-3H3,(H,36,38)
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n/an/a 11n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177968
PNG
(US9120798, 5)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2cccc(F)c2)CC1
Show InChI InChI=1S/C32H33F4N5OS/c1-30(2,3)18-40-15-13-31(14-16-40)19-41(27-25(42)12-11-22(26(27)31)32(34,35)36)24-10-5-4-9-23(24)37-29-39-38-28(43-29)20-7-6-8-21(33)17-20/h4-12,17,42H,13-16,18-19H2,1-3H3,(H,37,39)
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n/an/a 12n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015294
PNG
(CHEMBL3263074 | US9120798, 21)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-7-5-4-6-23(24)34-29-36-35-28(40-29)20-8-10-21(32)11-9-20/h4-13,39H,14-19H2,1-3H3,(H,34,36)
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n/an/a 13n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 13n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177967
PNG
(US9120798, 4)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(ccc3O)C(F)(F)F)c2ccccc2Nc2nnc(s2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C32H33F4N5OS/c1-30(2,3)18-40-16-14-31(15-17-40)19-41(27-25(42)13-12-22(26(27)31)32(34,35)36)24-7-5-4-6-23(24)37-29-39-38-28(43-29)20-8-10-21(33)11-9-20/h4-13,42H,14-19H2,1-3H3,(H,37,39)
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n/an/a 15n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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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n/an/a 16n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015293
PNG
(CHEMBL3263073 | US9120798, 20)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-15-13-31(14-16-37)19-38(27-25(39)12-11-22(33)26(27)31)24-10-5-4-9-23(24)34-29-36-35-28(40-29)20-7-6-8-21(32)17-20/h4-12,17,39H,13-16,18-19H2,1-3H3,(H,34,36)
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n/an/a 16n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015282
PNG
(CHEMBL3263062 | US9120798, 11)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ncc(s2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H35ClN4OS/c1-31(2,3)20-36-17-15-32(16-18-36)21-37(29-26(38)14-13-23(33)28(29)32)25-12-8-7-11-24(25)35-30-34-19-27(39-30)22-9-5-4-6-10-22/h4-14,19,38H,15-18,20-21H2,1-3H3,(H,34,35)
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n/an/a 16n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177958
PNG
(US9120798, Comparator 3)
Show SMILES COC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3ccccc23)nc1C
Show InChI InChI=1S/C29H36N4O2S/c1-20-25(26(34)35-5)36-27(30-20)31-22-11-7-9-13-24(22)33-19-29(21-10-6-8-12-23(21)33)14-16-32(17-15-29)18-28(2,3)4/h6-13H,14-19H2,1-5H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177980
PNG
(US9120798, 23)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C31H32Cl3N5OS/c1-30(2,3)17-38-12-10-31(11-13-38)18-39(27-25(40)9-8-22(34)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)19-14-20(32)16-21(33)15-19/h4-9,14-16,40H,10-13,17-18H2,1-3H3,(H,35,37)
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n/an/a 19n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177982
PNG
(US9120798, 25)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C31H32Cl3N5OS/c1-30(2,3)17-38-14-12-31(13-15-38)18-39(27-25(40)11-10-21(33)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)19-8-9-20(32)22(34)16-19/h4-11,16,40H,12-15,17-18H2,1-3H3,(H,35,37)
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n/an/a 19n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177993
PNG
(US9120798, 40)
Show SMILES CCOC(=O)c1sc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)nc1C(F)(F)F
Show InChI InChI=1S/C30H34ClF3N4O3S/c1-5-41-26(40)24-25(30(32,33)34)36-27(42-24)35-19-8-6-7-9-20(19)38-17-29(22-18(31)10-11-21(39)23(22)38)12-14-37(15-13-29)16-28(2,3)4/h6-11,39H,5,12-17H2,1-4H3,(H,35,36)
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n/an/a 19n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177994
PNG
(US9120798, 41)
Show SMILES CC(C)CN1CCc2nc(Nc3ccccc3N3CC4(CCN(CC(C)(C)C)CC4)c4c3c(O)ccc4Cl)sc2C1
Show InChI InChI=1S/C33H44ClN5OS/c1-22(2)18-38-15-12-25-28(19-38)41-31(36-25)35-24-8-6-7-9-26(24)39-21-33(29-23(34)10-11-27(40)30(29)39)13-16-37(17-14-33)20-32(3,4)5/h6-11,22,40H,12-21H2,1-5H3,(H,35,36)
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n/an/a 21n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177979
PNG
(US9120798, 22)
Show SMILES Cc1cccc(c1)-c1nnc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)s1
Show InChI InChI=1S/C32H36ClN5OS/c1-21-8-7-9-22(18-21)29-35-36-30(40-29)34-24-10-5-6-11-25(24)38-20-32(27-23(33)12-13-26(39)28(27)38)14-16-37(17-15-32)19-31(2,3)4/h5-13,18,39H,14-17,19-20H2,1-4H3,(H,34,36)
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n/an/a 22n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177995
PNG
(US9120798, 42)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2ccc(cn2)C(F)(F)F)CC1
Show InChI InChI=1S/C29H32ClF3N4O/c1-27(2,3)17-36-14-12-28(13-15-36)18-37(26-23(38)10-9-20(30)25(26)28)22-7-5-4-6-21(22)35-24-11-8-19(16-34-24)29(31,32)33/h4-11,16,38H,12-15,17-18H2,1-3H3,(H,34,35)
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n/an/a 22n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177985
PNG
(US9120798, 29)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccc(F)c2)CC1
Show InChI InChI=1S/C31H33ClFN5OS/c1-30(2,3)18-37-15-13-31(14-16-37)19-38(27-25(39)12-11-22(32)26(27)31)24-10-5-4-9-23(24)34-29-36-35-28(40-29)20-7-6-8-21(33)17-20/h4-12,17,39H,13-16,18-19H2,1-3H3,(H,34,36)
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n/an/a 23n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177988
PNG
(US9120798, 33)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)c(F)cc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H32ClF4N5O2S/c1-30(2,3)17-41-14-12-31(13-15-41)18-42(27-24(43)16-21(34)26(33)25(27)31)23-7-5-4-6-22(23)38-29-40-39-28(45-29)19-8-10-20(11-9-19)44-32(35,36)37/h4-11,16,43H,12-15,17-18H2,1-3H3,(H,38,40)
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n/an/a 23n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177983
PNG
(US9120798, 27)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C32H33ClF3N5OS/c1-30(2,3)18-40-15-13-31(14-16-40)19-41(27-25(42)12-11-22(33)26(27)31)24-10-5-4-9-23(24)37-29-39-38-28(43-29)20-7-6-8-21(17-20)32(34,35)36/h4-12,17,42H,13-16,18-19H2,1-3H3,(H,37,39)
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n/an/a 24n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177972
PNG
(US9120798, 9)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cccnc2)CC1
Show InChI InChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-15-12-30(13-16-36)19-37(26-24(38)11-10-21(31)25(26)30)23-9-5-4-8-22(23)33-28-35-34-27(39-28)20-7-6-14-32-17-20/h4-11,14,17,38H,12-13,15-16,18-19H2,1-3H3,(H,33,35)
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n/an/a 24.3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 26n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177981
PNG
(US9120798, 24)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cc(F)ccc2Cl)CC1
Show InChI InChI=1S/C31H32Cl2FN5OS/c1-30(2,3)17-38-14-12-31(13-15-38)18-39(27-25(40)11-10-22(33)26(27)31)24-7-5-4-6-23(24)35-29-37-36-28(41-29)20-16-19(34)8-9-21(20)32/h4-11,16,40H,12-15,17-18H2,1-3H3,(H,35,37)
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n/an/a 28n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015292
PNG
(CHEMBL3263072 | US9120798, 19)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C31H33Cl2N5OS/c1-30(2,3)18-37-16-14-31(15-17-37)19-38(27-25(39)13-12-22(33)26(27)31)24-11-7-6-10-23(24)34-29-36-35-28(40-29)20-8-4-5-9-21(20)32/h4-13,39H,14-19H2,1-3H3,(H,34,36)
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n/an/a 28n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177978
PNG
(US9120798, 18)
Show SMILES Cn1nc(cc1-c1nnc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)s1)C(C)(C)C
Show InChI InChI=1S/C33H42ClN7OS/c1-31(2,3)19-40-16-14-33(15-17-40)20-41(28-25(42)13-12-21(34)27(28)33)23-11-9-8-10-22(23)35-30-37-36-29(43-30)24-18-26(32(4,5)6)38-39(24)7/h8-13,18,42H,14-17,19-20H2,1-7H3,(H,35,37)
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n/an/a 33n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177989
PNG
(US9120798, 34)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(F)c(F)cc3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H32F5N5O2S/c1-30(2,3)17-41-14-12-31(13-15-41)18-42(27-24(43)16-21(33)26(34)25(27)31)23-7-5-4-6-22(23)38-29-40-39-28(45-29)19-8-10-20(11-9-19)44-32(35,36)37/h4-11,16,43H,12-15,17-18H2,1-3H3,(H,38,40)
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n/an/a 37n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177973
PNG
(US9120798, 10)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2ccncc2)CC1
Show InChI InChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-16-12-30(13-17-36)19-37(26-24(38)9-8-21(31)25(26)30)23-7-5-4-6-22(23)33-28-35-34-27(39-28)20-10-14-32-15-11-20/h4-11,14-15,38H,12-13,16-19H2,1-3H3,(H,33,35)
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n/an/a 40.2n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177977
PNG
(US9120798, 17)
Show SMILES COC(=O)c1nnc(Nc2ccccc2N2CC3(CCN(CC(C)(C)C)CC3)c3c2c(O)ccc3Cl)s1
Show InChI InChI=1S/C27H32ClN5O3S/c1-26(2,3)15-32-13-11-27(12-14-32)16-33(22-20(34)10-9-17(28)21(22)27)19-8-6-5-7-18(19)29-25-31-30-23(37-25)24(35)36-4/h5-10,34H,11-16H2,1-4H3,(H,29,31)
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n/an/a 48n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177991
PNG
(US9120798, 37)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2cc(on2)-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C33H34ClF3N4O2/c1-31(2,3)19-40-16-14-32(15-17-40)20-41(30-26(42)13-12-23(34)29(30)32)25-7-5-4-6-24(25)38-28-18-27(43-39-28)21-8-10-22(11-9-21)33(35,36)37/h4-13,18,42H,14-17,19-20H2,1-3H3,(H,38,39)
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n/an/a 60n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM50015280
PNG
(CHEMBL3263060 | US9120798, 38)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2cc(on2)-c2ccccc2)CC1
Show InChI InChI=1S/C32H35ClN4O2/c1-31(2,3)20-36-17-15-32(16-18-36)21-37(30-26(38)14-13-23(33)29(30)32)25-12-8-7-11-24(25)34-28-19-27(39-35-28)22-9-5-4-6-10-22/h4-14,19,38H,15-18,20-21H2,1-3H3,(H,34,35)
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n/an/a 66n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177976
PNG
(US9120798, 16)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)-c2cnc3ccccc3n2)CC1
Show InChI InChI=1S/C33H34ClN7OS/c1-32(2,3)19-40-16-14-33(15-17-40)20-41(29-27(42)13-12-21(34)28(29)33)26-11-7-6-10-24(26)37-31-39-38-30(43-31)25-18-35-22-8-4-5-9-23(22)36-25/h4-13,18,42H,14-17,19-20H2,1-3H3,(H,37,39)
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n/an/a 66n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177987
PNG
(US9120798, 32)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)cc(F)c3O)c2ccccc2Nc2nnc(s2)-c2ccc(OC(F)(F)F)cc2)CC1
Show InChI InChI=1S/C32H32ClF4N5O2S/c1-30(2,3)17-41-14-12-31(13-15-41)18-42(26-25(31)21(33)16-22(34)27(26)43)24-7-5-4-6-23(24)38-29-40-39-28(45-29)19-8-10-20(11-9-19)44-32(35,36)37/h4-11,16,43H,12-15,17-18H2,1-3H3,(H,38,40)
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n/an/a 69n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
SPA membrane binding assay was used to identify inhibitors of [33P] 2MeS-ADP binding to cloned human P2Yi receptors (The P2Yi receptor membranes were...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177974
PNG
(US9120798, 14)
Show SMILES CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2nnc(s2)C2CCOCC2)CC1
Show InChI InChI=1S/C30H38ClN5O2S/c1-29(2,3)18-35-14-12-30(13-15-35)19-36(26-24(37)9-8-21(31)25(26)30)23-7-5-4-6-22(23)32-28-34-33-27(39-28)20-10-16-38-17-11-20/h4-9,20,37H,10-19H2,1-3H3,(H,32,34)
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n/an/a 155n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))
BDBM177956
PNG
(US9120798, Comparator 1)
Show SMILES CC(C)(C)CN1CCC2(CC1)CCN(c1ccccc1Nc1nc3ccc(cc3[nH]1)C(C)(C)C)c1ccccc21
Show InChI InChI=1S/C35H45N5/c1-33(2,3)24-39-20-17-35(18-21-39)19-22-40(30-13-9-7-11-26(30)35)31-14-10-8-12-28(31)37-32-36-27-16-15-25(34(4,5)6)23-29(27)38-32/h7-16,23H,17-22,24H2,1-6H3,(H2,36,37,38)
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n/an/a 259n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
A membrane binding assay was used to identify inhibitors of [33P] 2MeS- ADP binding to cloned human P2Y1 receptors. The cDNA clone for human P2Yi was...


US Patent US9120798 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F47
More data for this
Ligand-Target Pair