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USPatent US9233108

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))
BDBM200747
PNG
(US9233108, 9)
Show SMILES COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@@H](CC3)OC(=O)C(O)(c3cccs3)c3cccs3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C41H44ClN5O8S2/c1-47(25-9-11-26(12-10-25)54-40(51)41(52,34-6-4-18-56-34)35-7-5-19-57-35)17-3-8-37-45-39(46-55-37)29-21-33(53-2)24(20-30(29)42)22-43-23-32(49)27-13-15-31(48)38-28(27)14-16-36(50)44-38/h4-7,13-16,18-21,25-26,32,43,48-49,52H,3,8-12,17,22-23H2,1-2H3,(H,44,50)/t25-,26-,32-/m0/s1
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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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200741
PNG
(US9233108, 1)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H42N4O8S2/c1-42(25-8-10-26(11-9-25)50-37(47)39(49,33-5-2-19-52-33)34-6-3-20-53-34)17-4-18-43-29-14-7-24(21-32(29)51-38(43)48)22-40-23-31(45)27-12-15-30(44)36-28(27)13-16-35(46)41-36/h2-3,5-7,12-16,19-21,25-26,31,40,44-45,49H,4,8-11,17-18,22-23H2,1H3,(H,41,46)/t25-,26-,31-/m0/s1
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n/an/a 0.300n/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200748
PNG
(US9233108, 10)
Show SMILES COc1cc(OCC(=O)N(C)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/C41H47ClN4O9S2/c1-45(26-8-10-27(11-9-26)55-40(51)41(52,35-6-4-18-56-35)36-7-5-19-57-36)16-17-46(2)38(50)24-54-34-21-33(53-3)25(20-30(34)42)22-43-23-32(48)28-12-14-31(47)39-29(28)13-15-37(49)44-39/h4-7,12-15,18-21,26-27,32,43,47-48,52H,8-11,16-17,22-24H2,1-3H3,(H,44,49)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200753
PNG
(US9233108, 18)
Show SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4NC(=O)COc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1
Show InChI InChI=1S/C38H48N6O7S/c1-43(26-10-12-27(13-11-26)51-37(48)38(49,25-6-2-3-7-25)33-8-4-19-52-33)17-5-18-44-30-15-9-24(20-29(30)41-42-44)21-39-22-32(46)28-14-16-31(45)35-36(28)50-23-34(47)40-35/h4,8-9,14-16,19-20,25-27,32,39,45-46,49H,2-3,5-7,10-13,17-18,21-23H2,1H3,(H,40,47)/t26-,27-,32-,38+/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200744
PNG
(US9233108, 5)
Show SMILES CN(CCCc1nc(no1)-c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H43N5O7S2/c1-45(27-12-14-28(15-13-27)51-39(49)40(50,33-5-3-21-53-33)34-6-4-22-54-34)20-2-7-36-43-38(44-52-36)26-10-8-25(9-11-26)23-41-24-32(47)29-16-18-31(46)37-30(29)17-19-35(48)42-37/h3-6,8-11,16-19,21-22,27-28,32,41,46-47,50H,2,7,12-15,20,23-24H2,1H3,(H,42,48)/t27-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200742
PNG
(US9233108, 2)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2[nH]c1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H43N5O7S2/c1-43(25-8-10-26(11-9-25)51-37(48)39(50,33-5-2-19-52-33)34-6-3-20-53-34)17-4-18-44-30-14-7-24(21-29(30)41-38(44)49)22-40-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)42-36/h2-3,5-7,12-16,19-21,25-26,32,40,45-46,50H,4,8-11,17-18,22-23H2,1H3,(H,41,49)(H,42,47)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200749
PNG
(US9233108, 11)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2sc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H42N4O7S3/c1-42(25-8-10-26(11-9-25)50-37(47)39(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-43-29-14-7-24(21-32(29)53-38(43)48)22-40-23-31(45)27-12-15-30(44)36-28(27)13-16-35(46)41-36/h2-3,5-7,12-16,19-21,25-26,31,40,44-45,49H,4,8-11,17-18,22-23H2,1H3,(H,41,46)/t25-,26-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200752
PNG
(US9233108, 17)
Show SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1
Show InChI InChI=1S/C39H48N6O6S/c1-44(27-10-12-28(13-11-27)51-38(49)39(50,26-6-2-3-7-26)35-8-4-21-52-35)19-5-20-45-32-16-9-25(22-31(32)42-43-45)23-40-24-34(47)29-14-17-33(46)37-30(29)15-18-36(48)41-37/h4,8-9,14-18,21-22,26-28,34,40,46-47,50H,2-3,5-7,10-13,19-20,23-24H2,1H3,(H,41,48)/t27-,28-,34-,39+/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200743
PNG
(US9233108, 4)
Show SMILES CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H44N4O6S2/c1-43(28-8-10-29(11-9-28)50-39(48)40(49,35-5-2-21-51-35)36-6-3-22-52-36)18-4-19-44-20-17-27-23-26(7-14-32(27)44)24-41-25-34(46)30-12-15-33(45)38-31(30)13-16-37(47)42-38/h2-3,5-7,12-17,20-23,28-29,34,41,45-46,49H,4,8-11,18-19,24-25H2,1H3,(H,42,47)/t28-,29-,34-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200754
PNG
(US9233108, 19)
Show SMILES CN(CCCn1c2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H44N4O8S2/c1-43(26-8-10-27(11-9-26)51-38(48)40(50,34-5-2-21-53-34)35-6-3-22-54-35)19-4-20-44-30-14-7-25(23-33(30)52-39(44)49)17-18-41-24-32(46)28-12-15-31(45)37-29(28)13-16-36(47)42-37/h2-3,5-7,12-16,21-23,26-27,32,41,45-46,50H,4,8-11,17-20,24H2,1H3,(H,42,47)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200750
PNG
(US9233108, 15)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C1(C)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C44H46N4O8/c1-44(32-8-3-5-10-37(32)55-38-11-6-4-9-33(38)44)42(52)54-29-15-13-28(14-16-29)47(2)22-7-23-48-34-19-12-27(24-39(34)56-43(48)53)25-45-26-36(50)30-17-20-35(49)41-31(30)18-21-40(51)46-41/h3-6,8-12,17-21,24,28-29,36,45,49-50H,7,13-16,22-23,25-26H2,1-2H3,(H,46,51)/t28-,29-,36-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200745
PNG
(US9233108, 6)
Show SMILES CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(C([O-])=O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H46N4O8S2/c1-43(27-9-13-29(14-10-27)52-40(39(49)50,34-5-3-21-53-34)35-6-4-22-54-35)19-20-44(2)37(48)25-51-28-11-7-26(8-12-28)23-41-24-33(46)30-15-17-32(45)38-31(30)16-18-36(47)42-38/h3-8,11-12,15-18,21-22,27,29,33,41,45-46H,9-10,13-14,19-20,23-25H2,1-2H3,(H,42,47)(H,49,50)/p-1/t27-,29-,33-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200753
PNG
(US9233108, 18)
Show SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4NC(=O)COc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1
Show InChI InChI=1S/C38H48N6O7S/c1-43(26-10-12-27(13-11-26)51-37(48)38(49,25-6-2-3-7-25)33-8-4-19-52-33)17-5-18-44-30-15-9-24(20-29(30)41-42-44)21-39-22-32(46)28-14-16-31(45)35-36(28)50-23-34(47)40-35/h4,8-9,14-16,19-20,25-27,32,39,45-46,49H,2-3,5-7,10-13,17-18,21-23H2,1H3,(H,40,47)/t26-,27-,32-,38+/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200750
PNG
(US9233108, 15)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C1(C)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C44H46N4O8/c1-44(32-8-3-5-10-37(32)55-38-11-6-4-9-33(38)44)42(52)54-29-15-13-28(14-16-29)47(2)22-7-23-48-34-19-12-27(24-39(34)56-43(48)53)25-45-26-36(50)30-17-20-35(49)41-31(30)18-21-40(51)46-41/h3-6,8-12,17-21,24,28-29,36,45,49-50H,7,13-16,22-23,25-26H2,1-2H3,(H,46,51)/t28-,29-,36-/m0/s1
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n/an/a 1.5n/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200746
PNG
(US9233108, 8)
Show SMILES CN(CCNC(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H44N4O8S2/c1-43(26-8-12-28(13-9-26)51-38(48)39(49,33-4-2-20-52-33)34-5-3-21-53-34)19-18-41-36(47)24-50-27-10-6-25(7-11-27)22-40-23-32(45)29-14-16-31(44)37-30(29)15-17-35(46)42-37/h2-7,10-11,14-17,20-21,26,28,32,40,44-45,49H,8-9,12-13,18-19,22-24H2,1H3,(H,41,47)(H,42,46)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200747
PNG
(US9233108, 9)
Show SMILES COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@@H](CC3)OC(=O)C(O)(c3cccs3)c3cccs3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C41H44ClN5O8S2/c1-47(25-9-11-26(12-10-25)54-40(51)41(52,34-6-4-18-56-34)35-7-5-19-57-35)17-3-8-37-45-39(46-55-37)29-21-33(53-2)24(20-30(29)42)22-43-23-32(49)27-13-15-31(48)38-28(27)14-16-36(50)44-38/h4-7,13-16,18-21,25-26,32,43,48-49,52H,3,8-12,17,22-23H2,1-2H3,(H,44,50)/t25-,26-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200744
PNG
(US9233108, 5)
Show SMILES CN(CCCc1nc(no1)-c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H43N5O7S2/c1-45(27-12-14-28(15-13-27)51-39(49)40(50,33-5-3-21-53-33)34-6-4-22-54-34)20-2-7-36-43-38(44-52-36)26-10-8-25(9-11-26)23-41-24-32(47)29-16-18-31(46)37-30(29)17-19-35(48)42-37/h3-6,8-11,16-19,21-22,27-28,32,41,46-47,50H,2,7,12-15,20,23-24H2,1H3,(H,42,48)/t27-,28-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200755
PNG
(US9233108, 20)
Show SMILES CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H46N4O8S2/c1-25(43-23-33(46)30-14-16-32(45)38-31(30)15-17-36(47)44-38)22-26-6-10-28(11-7-26)51-24-37(48)42-19-18-41-27-8-12-29(13-9-27)52-39(49)40(50,34-4-2-20-53-34)35-5-3-21-54-35/h2-7,10-11,14-17,20-21,25,27,29,33,41,43,45-46,50H,8-9,12-13,18-19,22-24H2,1H3,(H,42,48)(H,44,47)/t25?,27-,29-,33-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200755
PNG
(US9233108, 20)
Show SMILES CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H46N4O8S2/c1-25(43-23-33(46)30-14-16-32(45)38-31(30)15-17-36(47)44-38)22-26-6-10-28(11-7-26)51-24-37(48)42-19-18-41-27-8-12-29(13-9-27)52-39(49)40(50,34-4-2-20-53-34)35-5-3-21-54-35/h2-7,10-11,14-17,20-21,25,27,29,33,41,43,45-46,50H,8-9,12-13,18-19,22-24H2,1H3,(H,42,48)(H,44,47)/t25?,27-,29-,33-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200749
PNG
(US9233108, 11)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2sc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H42N4O7S3/c1-42(25-8-10-26(11-9-25)50-37(47)39(49,33-5-2-19-51-33)34-6-3-20-52-34)17-4-18-43-29-14-7-24(21-32(29)53-38(43)48)22-40-23-31(45)27-12-15-30(44)36-28(27)13-16-35(46)41-36/h2-3,5-7,12-16,19-21,25-26,31,40,44-45,49H,4,8-11,17-18,22-23H2,1H3,(H,41,46)/t25-,26-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200748
PNG
(US9233108, 10)
Show SMILES COc1cc(OCC(=O)N(C)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/C41H47ClN4O9S2/c1-45(26-8-10-27(11-9-26)55-40(51)41(52,35-6-4-18-56-35)36-7-5-19-57-36)16-17-46(2)38(50)24-54-34-21-33(53-3)25(20-30(34)42)22-43-23-32(48)28-12-14-31(47)39-29(28)13-15-37(49)44-39/h4-7,12-15,18-21,26-27,32,43,47-48,52H,8-11,16-17,22-24H2,1-3H3,(H,44,49)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM200751
PNG
(US9233108, 16)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2oc1=O)[C@H]1CC[C@@H](CC1)c1cccc2Oc3ccccc3C(C)(C([O-])=O)c12
Show InChI InChI=1S/C42H46N4O8/c1-42(40(50)51)31-8-3-4-9-36(31)53-37-10-5-7-30(39(37)42)27-12-15-29(16-13-27)45(2)19-6-20-46-33-17-11-26(21-38(33)54-41(46)52)23-43-24-35(49)28-14-18-34(48)32(22-28)44-25-47/h3-5,7-11,14,17-18,21-22,25,27,29,35,43,48-49H,6,12-13,15-16,19-20,23-24H2,1-2H3,(H,44,47)(H,50,51)/p-1/t27-,29-,35-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200751
PNG
(US9233108, 16)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2oc1=O)[C@H]1CC[C@@H](CC1)c1cccc2Oc3ccccc3C(C)(C([O-])=O)c12
Show InChI InChI=1S/C42H46N4O8/c1-42(40(50)51)31-8-3-4-9-36(31)53-37-10-5-7-30(39(37)42)27-12-15-29(16-13-27)45(2)19-6-20-46-33-17-11-26(21-38(33)54-41(46)52)23-43-24-35(49)28-14-18-34(48)32(22-28)44-25-47/h3-5,7-11,14,17-18,21-22,25,27,29,35,43,48-49H,6,12-13,15-16,19-20,23-24H2,1-2H3,(H,44,47)(H,50,51)/p-1/t27-,29-,35-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200752
PNG
(US9233108, 17)
Show SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1
Show InChI InChI=1S/C39H48N6O6S/c1-44(27-10-12-28(13-11-27)51-38(49)39(50,26-6-2-3-7-26)35-8-4-21-52-35)19-5-20-45-32-16-9-25(22-31(32)42-43-45)23-40-24-34(47)29-14-17-33(46)37-30(29)15-18-36(48)41-37/h4,8-9,14-18,21-22,26-28,34,40,46-47,50H,2-3,5-7,10-13,19-20,23-24H2,1H3,(H,41,48)/t27-,28-,34-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200746
PNG
(US9233108, 8)
Show SMILES CN(CCNC(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H44N4O8S2/c1-43(26-8-12-28(13-9-26)51-38(48)39(49,33-4-2-20-52-33)34-5-3-21-53-34)19-18-41-36(47)24-50-27-10-6-25(7-11-27)22-40-23-32(45)29-14-16-31(44)37-30(29)15-17-35(46)42-37/h2-7,10-11,14-17,20-21,26,28,32,40,44-45,49H,8-9,12-13,18-19,22-24H2,1H3,(H,41,47)(H,42,46)/t26-,28-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200745
PNG
(US9233108, 6)
Show SMILES CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(C([O-])=O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H46N4O8S2/c1-43(27-9-13-29(14-10-27)52-40(39(49)50,34-5-3-21-53-34)35-6-4-22-54-35)19-20-44(2)37(48)25-51-28-11-7-26(8-12-28)23-41-24-33(46)30-15-17-32(45)38-31(30)16-18-36(47)42-38/h3-8,11-12,15-18,21-22,27,29,33,41,45-46H,9-10,13-14,19-20,23-25H2,1-2H3,(H,42,47)(H,49,50)/p-1/t27-,29-,33-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200754
PNG
(US9233108, 19)
Show SMILES CN(CCCn1c2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H44N4O8S2/c1-43(26-8-10-27(11-9-26)51-38(48)40(50,34-5-2-21-53-34)35-6-3-22-54-35)19-4-20-44-30-14-7-25(23-33(30)52-39(44)49)17-18-41-24-32(46)28-12-15-31(45)37-29(28)13-16-36(47)42-37/h2-3,5-7,12-16,21-23,26-27,32,41,45-46,50H,4,8-11,17-20,24H2,1H3,(H,42,47)/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200742
PNG
(US9233108, 2)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2[nH]c1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H43N5O7S2/c1-43(25-8-10-26(11-9-25)51-37(48)39(50,33-5-2-19-52-33)34-6-3-20-53-34)17-4-18-44-30-14-7-24(21-29(30)41-38(44)49)22-40-23-32(46)27-12-15-31(45)36-28(27)13-16-35(47)42-36/h2-3,5-7,12-16,19-21,25-26,32,40,45-46,50H,4,8-11,17-18,22-23H2,1H3,(H,41,49)(H,42,47)/t25-,26-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200741
PNG
(US9233108, 1)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C39H42N4O8S2/c1-42(25-8-10-26(11-9-25)50-37(47)39(49,33-5-2-19-52-33)34-6-3-20-53-34)17-4-18-43-29-14-7-24(21-32(29)51-38(43)48)22-40-23-31(45)27-12-15-30(44)36-28(27)13-16-35(46)41-36/h2-3,5-7,12-16,19-21,25-26,31,40,44-45,49H,4,8-11,17-18,22-23H2,1H3,(H,41,46)/t25-,26-,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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM200743
PNG
(US9233108, 4)
Show SMILES CN(CCCn1ccc2cc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H44N4O6S2/c1-43(28-8-10-29(11-9-28)50-39(48)40(49,35-5-2-21-51-35)36-6-3-22-52-36)18-4-19-44-20-17-27-23-26(7-14-32(27)44)24-41-25-34(46)30-12-15-33(45)38-31(30)13-16-37(47)42-38/h2-3,5-7,12-17,20-23,28-29,34,41,45-46,49H,4,8-11,18-19,24-25H2,1H3,(H,42,47)/t28-,29-,34-/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...


US Patent US9233108 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%