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Patent code US9540323

Compile Data Set for Download or QSAR

Found 548 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
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)
PDB

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UniChem
US Patent
1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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
1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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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US Patent
3.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


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

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US Patent
3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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



Bristol-Myers Squibb Company

US Patent


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


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


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

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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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)
PDB

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3.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
BDBM260843
PNG
(US9540323, 29 | US9540323, example 29)
Show SMILES CCC1(CC)CN(c2c1c(F)ccc2O)c1ccccc1NC(=O)Nc1ccc(cc1)C1CCCN1CC(C)(C)C
Show InChI InChI=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)
PDB

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US Patent
3.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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

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US Patent
4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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

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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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

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4.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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

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US Patent
4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


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

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


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


(Homo sapiens (Human))
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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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...


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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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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...


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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=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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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...


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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=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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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...


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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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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...


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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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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...


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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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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...


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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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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...


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


(Homo sapiens (Human))
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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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...


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


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


(Homo sapiens (Human))
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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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...


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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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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...


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%