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Patent code US9315463

Compile Data Set for Download or QSAR
Found 30 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
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221898
PNG
(US9315463, 1)
Show SMILES CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C37H49N3O6S2/c1-40(26-13-15-27(16-14-26)46-36(44)37(45,32-11-9-23-47-32)33-12-10-24-48-33)22-8-6-4-2-3-5-7-21-38-25-31(42)28-17-19-30(41)35-29(28)18-20-34(43)39-35/h9-12,17-20,23-24,26-27,31,38,41-42,45H,2-8,13-16,21-22,25H2,1H3,(H,39,43)/t26?,27-,31-/m0/s1
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221909
PNG
(US9315463, 25)
Show SMILES COc1cc(OCCCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H46ClN3O8S2/c1-44(26-9-11-27(12-10-26)52-39(48)40(49,35-7-5-19-53-35)36-8-6-20-54-36)17-3-4-18-51-34-22-33(50-2)25(21-30(34)41)23-42-24-32(46)28-13-15-31(45)38-29(28)14-16-37(47)43-38/h5-8,13-16,19-22,26-27,32,42,45-46,49H,3-4,9-12,17-18,23-24H2,1-2H3,(H,43,47)/t26-,27-,32-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221910
PNG
(US9315463, 26)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221907
PNG
(US9315463, 20)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H45ClN4O8S2/c1-45(25-7-9-26(10-8-25)53-39(50)40(51,34-5-3-19-54-34)35-6-4-20-55-35)18-16-37(49)43-30-22-33(52-2)24(21-29(30)41)15-17-42-23-32(47)27-11-13-31(46)38-28(27)12-14-36(48)44-38/h3-6,11-14,19-22,25-26,32,42,46-47,51H,7-10,15-18,23H2,1-2H3,(H,43,49)(H,44,48)/t25-,26-,32-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221904
PNG
(US9315463, 15)
Show SMILES COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O8S2/c1-51-32-20-29(28(40)19-23(32)21-41-22-31(46)26-12-14-30(45)37-27(26)13-15-36(48)44-37)43-35(47)7-2-16-42-24-8-10-25(11-9-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34/h3-6,12-15,17-20,24-25,31,41-42,45-46,50H,2,7-11,16,21-22H2,1H3,(H,43,47)(H,44,48)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221900
PNG
(US9315463, 9)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O8S2/c1-44(24-7-9-25(10-8-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34)16-15-36(48)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)37-27(26)12-14-35(47)43-37/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,48)(H,43,47)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221912
PNG
(US9315463, 29)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H49ClN4O9S/c1-45(26-9-11-27(12-10-26)54-38(49)40(51,25-6-3-4-7-25)35-8-5-19-55-35)17-18-53-39(50)43-31-21-34(52-2)24(20-30(31)41)22-42-23-33(47)28-13-15-32(46)37-29(28)14-16-36(48)44-37/h5,8,13-16,19-21,25-27,33,42,46-47,51H,3-4,6-7,9-12,17-18,22-23H2,1-2H3,(H,43,50)(H,44,48)/t26-,27-,33-,40+/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221899
PNG
(US9315463, 2)
Show SMILES CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H43N3O7S2/c1-41(26-8-12-28(13-9-26)48-37(45)38(46,33-4-2-22-49-33)34-5-3-23-50-34)20-21-47-27-10-6-25(7-11-27)18-19-39-24-32(43)29-14-16-31(42)36-30(29)15-17-35(44)40-36/h2-7,10-11,14-17,22-23,26,28,32,39,42-43,46H,8-9,12-13,18-21,24H2,1H3,(H,40,44)/t26?,28-,32-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221911
PNG
(US9315463, 28)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C42H51ClN4O9/c1-47(29-12-14-30(15-13-29)56-40(51)42(53,28-10-6-7-11-28)27-8-4-3-5-9-27)20-21-55-41(52)45-34-23-37(54-2)26(22-33(34)43)24-44-25-36(49)31-16-18-35(48)39-32(31)17-19-38(50)46-39/h3-5,8-9,16-19,22-23,28-30,36,44,48-49,53H,6-7,10-15,20-21,24-25H2,1-2H3,(H,45,52)(H,46,50)/t29-,30-,36-,42-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221908
PNG
(US9315463, 22)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C#N
Show InChI InChI=1S/C40H43N5O9S2/c1-45(26-7-9-27(10-8-26)54-38(49)40(51,34-5-3-17-55-34)35-6-4-18-56-35)15-16-53-39(50)43-30-20-33(52-2)25(19-24(30)21-41)22-42-23-32(47)28-11-13-31(46)37-29(28)12-14-36(48)44-37/h3-6,11-14,17-20,26-27,32,42,46-47,51H,7-10,15-16,22-23H2,1-2H3,(H,43,50)(H,44,48)/t26-,27-,32-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221902
PNG
(US9315463, 12)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O9S2/c1-44(24-7-9-25(10-8-24)53-37(48)39(50,33-5-3-17-54-33)34-6-4-18-55-34)15-16-52-38(49)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)36-27(26)12-14-35(47)43-36/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,49)(H,43,47)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221906
PNG
(US9315463, 18)
Show SMILES CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H40F2N4O7S2/c1-44(23-6-8-24(9-7-23)51-37(49)38(50,32-4-2-16-52-32)33-5-3-17-53-33)15-14-35(48)42-29-19-27(39)22(18-28(29)40)20-41-21-31(46)25-10-12-30(45)36-26(25)11-13-34(47)43-36/h2-5,10-13,16-19,23-24,31,41,45-46,50H,6-9,14-15,20-21H2,1H3,(H,42,48)(H,43,47)/t23-,24-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221902
PNG
(US9315463, 12)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O9S2/c1-44(24-7-9-25(10-8-24)53-37(48)39(50,33-5-3-17-54-33)34-6-4-18-55-34)15-16-52-38(49)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)36-27(26)12-14-35(47)43-36/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,49)(H,43,47)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221910
PNG
(US9315463, 26)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221905
PNG
(US9315463, 16)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43FN4O8S2/c1-44(24-7-9-25(10-8-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34)16-15-36(48)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)37-27(26)12-14-35(47)43-37/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,48)(H,43,47)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221904
PNG
(US9315463, 15)
Show SMILES COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O8S2/c1-51-32-20-29(28(40)19-23(32)21-41-22-31(46)26-12-14-30(45)37-27(26)13-15-36(48)44-37)43-35(47)7-2-16-42-24-8-10-25(11-9-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34/h3-6,12-15,17-20,24-25,31,41-42,45-46,50H,2,7-11,16,21-22H2,1H3,(H,43,47)(H,44,48)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221903
PNG
(US9315463, 13)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H45ClN4O8S2/c1-39(53-38(50)40(51,33-6-4-18-54-33)34-7-5-19-55-34)15-12-25(13-16-39)45(2)17-14-36(49)43-29-21-32(52-3)24(20-28(29)41)22-42-23-31(47)26-8-10-30(46)37-27(26)9-11-35(48)44-37/h4-11,18-21,25,31,42,46-47,51H,12-17,22-23H2,1-3H3,(H,43,49)(H,44,48)/t25-,31-,39-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221901
PNG
(US9315463, 10)
Show SMILES CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H41ClN4O7S2/c1-43(24-7-9-25(10-8-24)50-37(48)38(49,32-4-2-18-51-32)33-5-3-19-52-33)17-16-35(47)41-29-13-6-23(20-28(29)39)21-40-22-31(45)26-11-14-30(44)36-27(26)12-15-34(46)42-36/h2-6,11-15,18-20,24-25,31,40,44-45,49H,7-10,16-17,21-22H2,1H3,(H,41,47)(H,42,46)/t24-,25-,31-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221903
PNG
(US9315463, 13)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H45ClN4O8S2/c1-39(53-38(50)40(51,33-6-4-18-54-33)34-7-5-19-55-34)15-12-25(13-16-39)45(2)17-14-36(49)43-29-21-32(52-3)24(20-28(29)41)22-42-23-31(47)26-8-10-30(46)37-27(26)9-11-35(48)44-37/h4-11,18-21,25,31,42,46-47,51H,12-17,22-23H2,1-3H3,(H,43,49)(H,44,48)/t25-,31-,39-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221912
PNG
(US9315463, 29)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H49ClN4O9S/c1-45(26-9-11-27(12-10-26)54-38(49)40(51,25-6-3-4-7-25)35-8-5-19-55-35)17-18-53-39(50)43-31-21-34(52-2)24(20-30(31)41)22-42-23-33(47)28-13-15-32(46)37-29(28)14-16-36(48)44-37/h5,8,13-16,19-21,25-27,33,42,46-47,51H,3-4,6-7,9-12,17-18,22-23H2,1-2H3,(H,43,50)(H,44,48)/t26-,27-,33-,40+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221908
PNG
(US9315463, 22)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C#N
Show InChI InChI=1S/C40H43N5O9S2/c1-45(26-7-9-27(10-8-26)54-38(49)40(51,34-5-3-17-55-34)35-6-4-18-56-35)15-16-53-39(50)43-30-20-33(52-2)25(19-24(30)21-41)22-42-23-32(47)28-11-13-31(46)37-29(28)12-14-36(48)44-37/h3-6,11-14,17-20,26-27,32,42,46-47,51H,7-10,15-16,22-23H2,1-2H3,(H,43,50)(H,44,48)/t26-,27-,32-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221905
PNG
(US9315463, 16)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43FN4O8S2/c1-44(24-7-9-25(10-8-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34)16-15-36(48)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)37-27(26)12-14-35(47)43-37/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,48)(H,43,47)/t24-,25-,31-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221907
PNG
(US9315463, 20)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H45ClN4O8S2/c1-45(25-7-9-26(10-8-25)53-39(50)40(51,34-5-3-19-54-34)35-6-4-20-55-35)18-16-37(49)43-30-22-33(52-2)24(21-29(30)41)15-17-42-23-32(47)27-11-13-31(46)38-28(27)12-14-36(48)44-38/h3-6,11-14,19-22,25-26,32,42,46-47,51H,7-10,15-18,23H2,1-2H3,(H,43,49)(H,44,48)/t25-,26-,32-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221898
PNG
(US9315463, 1)
Show SMILES CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C37H49N3O6S2/c1-40(26-13-15-27(16-14-26)46-36(44)37(45,32-11-9-23-47-32)33-12-10-24-48-33)22-8-6-4-2-3-5-7-21-38-25-31(42)28-17-19-30(41)35-29(28)18-20-34(43)39-35/h9-12,17-20,23-24,26-27,31,38,41-42,45H,2-8,13-16,21-22,25H2,1H3,(H,39,43)/t26?,27-,31-/m0/s1
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n/an/a 6.40n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221901
PNG
(US9315463, 10)
Show SMILES CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H41ClN4O7S2/c1-43(24-7-9-25(10-8-24)50-37(48)38(49,32-4-2-18-51-32)33-5-3-19-52-33)17-16-35(47)41-29-13-6-23(20-28(29)39)21-40-22-31(45)26-11-14-30(44)36-27(26)12-15-34(46)42-36/h2-6,11-15,18-20,24-25,31,40,44-45,49H,7-10,16-17,21-22H2,1H3,(H,41,47)(H,42,46)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221900
PNG
(US9315463, 9)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C39H43ClN4O8S2/c1-44(24-7-9-25(10-8-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34)16-15-36(48)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)37-27(26)12-14-35(47)43-37/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,48)(H,43,47)/t24-,25-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM221911
PNG
(US9315463, 28)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C42H51ClN4O9/c1-47(29-12-14-30(15-13-29)56-40(51)42(53,28-10-6-7-11-28)27-8-4-3-5-9-27)20-21-55-41(52)45-34-23-37(54-2)26(22-33(34)43)24-44-25-36(49)31-16-18-35(48)39-32(31)17-19-38(50)46-39/h3-5,8-9,16-19,22-23,28-30,36,44,48-49,53H,6-7,10-15,20-21,24-25H2,1-2H3,(H,45,52)(H,46,50)/t29-,30-,36-,42-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221909
PNG
(US9315463, 25)
Show SMILES COc1cc(OCCCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H46ClN3O8S2/c1-44(26-9-11-27(12-10-26)52-39(48)40(49,35-7-5-19-53-35)36-8-6-20-54-36)17-3-4-18-51-34-22-33(50-2)25(21-30(34)41)23-42-24-32(46)28-13-15-31(45)38-29(28)14-16-37(47)43-38/h5-8,13-16,19-22,26-27,32,42,45-46,49H,3-4,9-12,17-18,23-24H2,1-2H3,(H,43,47)/t26-,27-,32-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221906
PNG
(US9315463, 18)
Show SMILES CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H40F2N4O7S2/c1-44(23-6-8-24(9-7-23)51-37(49)38(50,32-4-2-16-52-32)33-5-3-17-53-33)15-14-35(48)42-29-19-27(39)22(18-28(29)40)20-41-21-31(46)25-10-12-30(45)36-26(25)11-13-34(47)43-36/h2-5,10-13,16-19,23-24,31,41,45-46,50H,6-9,14-15,20-21H2,1H3,(H,42,48)(H,43,47)/t23-,24-,31-/m0/s1
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Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM221899
PNG
(US9315463, 2)
Show SMILES CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C38H43N3O7S2/c1-41(26-8-12-28(13-9-26)48-37(45)38(46,33-4-2-22-49-33)34-5-3-23-50-34)20-21-47-27-10-6-25(7-11-27)18-19-39-24-32(43)29-14-16-31(42)36-30(29)15-17-35(44)40-36/h2-7,10-11,14-17,22-23,26,28,32,39,42-43,46H,8-9,12-13,18-21,24H2,1H3,(H,40,44)/t26?,28-,32-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


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