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Patent code US9540323

Compile Data Set for Download or QSAR

Found 274 hits of Enzyme Inhibition Constant Data   
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))		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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US Patent
 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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 -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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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=1S/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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 -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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 -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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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=1S/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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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 -47.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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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US Patent
 4.70 -47.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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)
PDB

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 4.80 -47.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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)
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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)
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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)
PDB

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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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=1S/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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(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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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM261040
PNG
(US9540323, 261 | US9540323, example 261)
Show SMILES CC1(C)CN(c2c1c(-c1ccno1)c(F)cc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H22F4N4O4/c1-26(2)14-35(24-20(36)13-17(28)22(23(24)26)21-11-12-32-39-21)19-6-4-3-5-18(19)34-25(37)33-15-7-9-16(10-8-15)38-27(29,30)31/h3-13,36H,14H2,1-2H3,(H2,33,34,37)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260818
PNG
(US9540323, 4 | US9540323, example 4)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1
Show InChI InChI=1S/C35H45FN4O2/c1-6-35(7-2)23-40(32-30(41)17-16-27(36)31(32)35)29-11-9-8-10-28(29)38-33(42)37-26-14-12-24(13-15-26)25-18-20-39(21-19-25)22-34(3,4)5/h8-17,25,41H,6-7,18-23H2,1-5H3,(H2,37,38,42)
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 5.60 -47.1n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260962
PNG
(US9540323, 158 | US9540323, example 158)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(nc1)C(F)(F)F)c1ccccc1NC(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C30H22F5N5O2S/c1-29(2)14-40(26-21(41)12-17(32)24(25(26)29)15-7-10-23(36-13-15)30(33,34)35)20-6-4-3-5-18(20)37-27(42)39-28-38-19-9-8-16(31)11-22(19)43-28/h3-13,41H,14H2,1-2H3,(H2,37,38,39,42)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260871
PNG
(US9540323, 59 | US9540323, example 59)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1cc(F)ccc1NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C24H19F6N3O2/c1-23(2)11-33(21-19(34)8-5-14(20(21)23)24(28,29)30)18-10-13(26)4-7-17(18)32-22(35)31-16-6-3-12(25)9-15(16)27/h3-10,34H,11H2,1-2H3,(H2,31,32,35)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045628
PNG
(CHEMBL3314308 | US9540323, 202 | US9540323, exampl...)
Show SMILES CC(C)(C)CN1CCCC1c1ccc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C38H43FN4O2/c1-37(2,3)23-42-22-8-11-31(42)26-14-18-28(19-15-26)40-36(45)41-30-9-6-7-10-32(30)43-24-38(4,5)34-29(20-21-33(44)35(34)43)25-12-16-27(39)17-13-25/h6-7,9-10,12-21,31,44H,8,11,22-24H2,1-5H3,(H2,40,41,45)
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Bristol-Myers Squibb 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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260849
PNG
(US9540323, 36 | US9540323, example 36)
Show SMILES CCC1(CC)CN(c2c1ccc(F)c2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)C
Show InChI InChI=1S/C33H41FN4O2/c1-5-33(6-2)21-38(30-25(33)17-18-26(34)31(30)39)29-11-8-7-10-27(29)36-32(40)35-24-15-13-23(14-16-24)28-12-9-19-37(28)20-22(3)4/h7-8,10-11,13-18,22,28,39H,5-6,9,12,19-21H2,1-4H3,(H2,35,36,40)
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Bristol-Myers Squibb Company

US Patent


Assay Description
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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045626
PNG
(CHEMBL3314306 | US9540323, 201 | US9540323, exampl...)
Show SMILES Cc1nc(NC(=O)Nc2ccccc2N2CC(C)(C)c3c2c(O)ccc3-c2ccc(F)cc2)cs1
Show InChI InChI=1S/C27H25FN4O2S/c1-16-29-23(14-35-16)31-26(34)30-20-6-4-5-7-21(20)32-15-27(2,3)24-19(12-13-22(33)25(24)32)17-8-10-18(28)11-9-17/h4-14,33H,15H2,1-3H3,(H2,30,31,34)
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 5.80 -47.0n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260922
PNG
(US9540323, 113 | US9540323, example 113)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccncc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H25F3N4O3/c1-28(2)17-36(26-24(37)12-11-21(25(26)28)18-13-15-33-16-14-18)23-6-4-3-5-22(23)35-27(38)34-19-7-9-20(10-8-19)39-29(30,31)32/h3-16,37H,17H2,1-2H3,(H2,34,35,38)
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 5.90 -47.0n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260830
PNG
(US9540323, 16 | US9540323, example 16)
Show SMILES CC1(C)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C21H18ClF3N4O2S/c1-20(2)10-29(17-14(30)8-7-11(16(17)20)21(23,24)25)13-6-4-3-5-12(13)26-19(31)28-15-9-32-18(22)27-15/h3-9,30H,10H2,1-2H3,(H2,26,28,31)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260839
PNG
(US9540323, 25 | US9540323, example 25)
Show SMILES CCC1(CC)CN(c2c1c(ccc2O)C(F)(F)F)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1
Show InChI InChI=1S/C36H45F3N4O2/c1-6-35(7-2)23-43(32-30(44)17-16-27(31(32)35)36(37,38)39)29-11-9-8-10-28(29)41-33(45)40-26-14-12-24(13-15-26)25-18-20-42(21-19-25)22-34(3,4)5/h8-17,25,44H,6-7,18-23H2,1-5H3,(H2,40,41,45)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260973
PNG
(US9540323, 174 | US9540323, example 174)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1nc2ccc(F)cc2s1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C31H24F4N4O3S/c1-30(2)16-39(27-24(40)14-12-20(26(27)30)28-37-22-13-7-17(32)15-25(22)43-28)23-6-4-3-5-21(23)38-29(41)36-18-8-10-19(11-9-18)42-31(33,34)35/h3-15,40H,16H2,1-2H3,(H2,36,38,41)
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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260965
PNG
(US9540323, 162 | US9540323, example 162)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(Cl)cn1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H23ClF4N4O3/c1-28(2)15-38(26-23(39)13-19(31)24(25(26)28)21-12-7-16(30)14-35-21)22-6-4-3-5-20(22)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)
PDB

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 6.40 -46.8n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM261035
PNG
(US9540323, 256 | US9540323, example 256)
Show SMILES CC(C)c1noc(n1)-c1c2c(N(CC2(C)C)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(O)cc1F
Show InChI InChI=1S/C29H27F4N5O4/c1-15(2)25-36-26(42-37-25)22-18(30)13-21(39)24-23(22)28(3,4)14-38(24)20-8-6-5-7-19(20)35-27(40)34-16-9-11-17(12-10-16)41-29(31,32)33/h5-13,15,39H,14H2,1-4H3,(H2,34,35,40)
PDB

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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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045603
PNG
(CHEMBL3314316 | US9540323, 161 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1cc(F)nc(F)c1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H22F6N4O3/c1-28(2)14-39(26-21(40)13-18(30)24(25(26)28)15-11-22(31)38-23(32)12-15)20-6-4-3-5-19(20)37-27(41)36-16-7-9-17(10-8-16)42-29(33,34)35/h3-13,40H,14H2,1-2H3,(H2,36,37,41)
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 6.60 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260863
PNG
(US9540323, 50 | US9540323, example 50)
Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)C)CC1
Show InChI InChI=1S/C34H43ClN4O2/c1-5-34(6-2)22-39(32-30(40)16-15-27(35)31(32)34)29-10-8-7-9-28(29)37-33(41)36-26-13-11-24(12-14-26)25-17-19-38(20-18-25)21-23(3)4/h7-16,23,25,40H,5-6,17-22H2,1-4H3,(H2,36,37,41)
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 6.60 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260862
PNG
(US9540323, 49 | US9540323, example 49)
Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc2ccc(F)cc2s1
Show InChI InChI=1S/C26H24ClFN4O2S/c1-3-26(4-2)14-32(23-20(33)12-10-16(27)22(23)26)19-8-6-5-7-17(19)29-24(34)31-25-30-18-11-9-15(28)13-21(18)35-25/h5-13,33H,3-4,14H2,1-2H3,(H2,29,30,31,34)
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 6.60 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045629
PNG
(CHEMBL3314309 | US9540323, 194 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(c(F)cc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H24F5N3O3/c1-29(2)16-38(27-24(39)15-21(32)25(26(27)29)17-7-9-18(31)10-8-17)23-6-4-3-5-22(23)37-28(40)36-19-11-13-20(14-12-19)41-30(33,34)35/h3-15,39H,16H2,1-2H3,(H2,36,37,40)
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 6.70 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045619
PNG
(CHEMBL3314299 | US9540323, 205 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(Cl)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25ClF3N3O3/c1-29(2)17-37(27-25(38)16-15-22(26(27)29)18-7-9-19(31)10-8-18)24-6-4-3-5-23(24)36-28(39)35-20-11-13-21(14-12-20)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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 6.70 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260858
PNG
(US9540323, 45 | US9540323, example 45)
Show SMILES CCC1(CC)CN(c2c1c(ccc2O)C#N)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCN(CC(C)(C)C)CC1
Show InChI InChI=1S/C36H45N5O2/c1-6-36(7-2)24-41(33-31(42)17-14-27(22-37)32(33)36)30-11-9-8-10-29(30)39-34(43)38-28-15-12-25(13-16-28)26-18-20-40(21-19-26)23-35(3,4)5/h8-17,26,42H,6-7,18-21,23-24H2,1-5H3,(H2,38,39,43)
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 6.70 -46.7n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260883
PNG
(US9540323, 71 | US9540323, example 71)
Show SMILES CCC1(CC)CN(c2c1c(C)ccc2O)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H28F3N3O3/c1-4-26(5-2)16-33(24-22(34)15-10-17(3)23(24)26)21-9-7-6-8-20(21)32-25(35)31-18-11-13-19(14-12-18)36-27(28,29)30/h6-15,34H,4-5,16H2,1-3H3,(H2,31,32,35)
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 6.80 -46.6n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM50045617
PNG
(CHEMBL3314298 | US9540323, 193 | US9540323, exampl...)
Show SMILES CC1(C)CN(c2c1c(ccc2O)-c1ccc(F)cc1)c1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H25F4N3O3/c1-29(2)17-37(27-25(38)16-15-22(26(27)29)18-7-9-19(31)10-8-18)24-6-4-3-5-23(24)36-28(39)35-20-11-13-21(14-12-20)40-30(32,33)34/h3-16,38H,17H2,1-2H3,(H2,35,36,39)
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 6.90 -46.6n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260857
PNG
(US9540323, 44 | US9540323, example 44)
Show SMILES CCC1(CC)CN(c2c1c(ccc2O)C#N)c1ccccc1NC(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H34N4O2/c1-6-30(7-2)19-34(27-25(35)17-12-20(18-31)26(27)30)24-11-9-8-10-23(24)33-28(36)32-22-15-13-21(14-16-22)29(3,4)5/h8-17,35H,6-7,19H2,1-5H3,(H2,32,33,36)
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 6.90 -46.6n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260861
PNG
(US9540323, 48 | US9540323, example 48)
Show SMILES CCC1(CC)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1nc(ns1)C(C)C
Show InChI InChI=1S/C24H28ClN5O2S/c1-5-24(6-2)13-30(20-18(31)12-11-15(25)19(20)24)17-10-8-7-9-16(17)26-22(32)28-23-27-21(14(3)4)29-33-23/h7-12,14,31H,5-6,13H2,1-4H3,(H2,26,27,28,29,32)
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 7 -46.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260886
PNG
(US9540323, 75 | US9540323, example 75)
Show SMILES CCOC(=O)C1(C)CN(c2c1c(Cl)ccc2O)c1ccccc1NC(=O)Nc1csc(Cl)n1
Show InChI InChI=1S/C22H20Cl2N4O4S/c1-3-32-19(30)22(2)11-28(18-15(29)9-8-12(23)17(18)22)14-7-5-4-6-13(14)25-21(31)27-16-10-33-20(24)26-16/h4-10,29H,3,11H2,1-2H3,(H2,25,27,31)
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 7.10 -46.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Homo sapiens (Human))		BDBM260988
PNG
(US9540323, 189 | US9540323, example 189)
Show SMILES CSc1ncc(cn1)-c1c2c(N(CC2(C)C)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(O)cc1F
Show InChI InChI=1S/C29H25F4N5O3S/c1-28(2)15-38(25-22(39)12-19(30)23(24(25)28)16-13-34-27(42-3)35-14-16)21-7-5-4-6-20(21)37-26(40)36-17-8-10-18(11-9-17)41-29(31,32)33/h4-14,39H,15H2,1-3H3,(H2,36,37,40)
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 7.20 -46.5n/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 US9540323 (2017)


BindingDB Entry DOI: 10.7270/Q289141P
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 274 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%