Found 34 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2119 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354688
(US9809582, Example 33 | US9809582, Example 36 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.39,(-7.16,-9.05,;-5.82,-9.82,;-4.49,-9.05,;-3.16,-9.82,;-1.82,-9.05,;-1.82,-7.51,;-3.16,-6.74,;-4.49,-7.51,;-5.82,-6.74,;-7.16,-7.51,;-.49,-6.74,;.85,-7.51,;2.18,-6.74,;2.18,-5.2,;.85,-4.43,;3.51,-4.43,;4.85,-5.2,;6.18,-4.43,;4.85,-6.74,;3.51,-7.51,;3.51,-9.05,;-.49,-5.2,;-1.82,-4.43,;-3.16,-5.2,;-1.82,-2.89,;-3.07,-1.99,;-2.59,-.52,;-1.05,-.52,;-.28,.81,;-1.05,2.14,;-.28,3.48,;1.21,3.87,;.81,5.36,;-.68,4.96,;2.3,4.96,;3.38,6.05,;2.69,3.48,;4.18,3.08,;4.58,1.59,;6.07,1.19,;7.16,2.28,;6.76,3.77,;5.27,4.17,;6.36,3.08,;4.98,2.28,;.41,6.85,;1.5,7.94,;1.1,9.43,;-.39,9.82,;-1.48,8.74,;-1.08,7.25,;-.58,-1.99,)| Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354676
(Single diastereoisomers [(1S)-2-(3,5-dichloro-1-ox...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,31.32,wD:35.36,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,5.54,;-2.25,7.03,;-3.74,7.42,;-4.83,6.34,;-4.43,4.85,;-2.94,4.45,;.11,-1.66,)| Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354671
(US9809582, Example 15)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.38,(-20.34,-18.96,;-19.01,-19.73,;-17.68,-18.96,;-16.34,-19.73,;-15.01,-18.96,;-15.01,-17.42,;-16.34,-16.65,;-17.68,-17.42,;-19.01,-16.65,;-20.34,-17.42,;-13.67,-16.65,;-12.34,-17.42,;-11.01,-16.65,;-11.01,-15.11,;-12.34,-14.34,;-9.67,-14.34,;-8.34,-15.11,;-7.01,-14.34,;-8.34,-16.65,;-9.67,-17.42,;-9.67,-18.96,;-13.67,-15.11,;-15.01,-14.34,;-16.34,-15.11,;-15.01,-12.8,;-16.25,-11.89,;-15.78,-10.43,;-14.24,-10.43,;-13.47,-9.09,;-14.24,-7.76,;-15.33,-6.67,;-14.24,-5.58,;-13.15,-6.67,;-12.9,-4.81,;-12.9,-3.27,;-11.57,-5.58,;-10.24,-4.81,;-8.9,-5.58,;-7.57,-4.81,;-7.57,-3.27,;-8.9,-2.5,;-10.24,-3.27,;-8.7,-3.27,;-9.47,-4.6,;-15.57,-4.81,;-16.91,-5.58,;-18.24,-4.81,;-18.24,-3.27,;-16.91,-2.5,;-15.57,-3.27,;-13.76,-11.89,)| Show InChI InChI=1S/C38H39Cl2N3O7S/c1-47-31-10-8-25(16-33(31)48-2)32(17-28-29(39)19-43(46)20-30(28)40)49-36(44)35-11-9-27(51-35)18-42-22-38(23-42,26-6-4-3-5-7-26)37(45)50-34-21-41-14-12-24(34)13-15-41/h3-11,16,19-20,24,32,34H,12-15,17-18,21-23H2,1-2H3/t32-,34-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354681
(US9809582, Example 26 | US9809582, Example 27)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.38,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;-1.8,2.79,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354664
(US9809582, Example 7)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.19,8.73,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354674
(Single diastereoisomers of [(1S)-2-(3,5-dichloro-1...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,31.33,wD:31.34,36.37,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;-1.13,6.47,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,4.74,;-2.94,5.83,;-4.43,5.43,;-4.83,3.94,;-3.74,2.85,;-2.25,3.25,;.11,-1.66,)| Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354670
(US9809582, Example 14)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1 |r,wU:10.22,wD:39.41,(-7.34,-8.08,;-6,-8.85,;-4.67,-8.08,;-3.33,-8.85,;-2,-8.08,;-2,-6.54,;-3.33,-5.77,;-4.67,-6.54,;-6,-5.78,;-7.34,-6.54,;-.67,-5.78,;.67,-6.54,;2,-5.78,;3.33,-6.54,;3.33,-8.08,;4.67,-5.78,;4.67,-4.23,;6,-3.46,;3.33,-3.47,;2,-4.23,;.67,-3.47,;-.67,-4.23,;-2,-3.47,;-3.33,-4.23,;-2,-1.93,;-3.33,-1.15,;-3.33,.38,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;.67,5.78,;-.67,5,;-.67,3.47,;2,6.54,;2,8.08,;3.33,5.78,;4.67,6.54,;6,5.78,;7.34,6.54,;7.34,8.08,;6,8.85,;4.67,8.08,;5.44,6.75,;6.53,7.84,;-.67,6.54,;-.67,8.08,;-2,8.85,;-3.33,8.08,;-3.33,6.54,;-2,5.78,;-.67,-1.15,)| Show InChI InChI=1S/C42H45Cl2N3O7/c1-51-36-12-11-30(22-38(36)52-2)37(23-33-34(43)25-47(50)26-35(33)44)53-40(48)31-8-6-7-28(21-31)24-46-19-15-42(16-20-46,32-9-4-3-5-10-32)41(49)54-39-27-45-17-13-29(39)14-18-45/h3-12,21-22,25-26,29,37,39H,13-20,23-24,27H2,1-2H3/t37-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354672
(US9809582, Example 16)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1 |r| Show InChI InChI=1S/C36H37Cl2N3O7S/c1-39-14-13-25(17-39)47-35(43)36(24-7-5-4-6-8-24)21-40(22-36)18-26-10-12-33(49-26)34(42)48-31(16-27-28(37)19-41(44)20-29(27)38)23-9-11-30(45-2)32(15-23)46-3/h4-12,15,19-20,25,31H,13-14,16-18,21-22H2,1-3H3/t25-,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354673
(US9809582, Example 17)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(O)(C(=O)O[C@H]2CN3CCC2CC3)c2cccs2)s1 |r,wU:10.22,wD:36.37,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;-1.13,6.47,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,5.54,;-2.76,6.78,;-4.22,6.31,;-4.22,4.77,;-2.76,4.29,;.11,-1.66,)| Show InChI InChI=1S/C35H37Cl2N3O8S2/c1-45-27-7-5-22(14-29(27)46-2)28(15-24-25(36)17-40(44)18-26(24)37)47-33(41)31-8-6-23(50-31)16-38-20-35(43,32-4-3-13-49-32)34(42)48-30-19-39-11-9-21(30)10-12-39/h3-8,13-14,17-18,21,28,30,38,43H,9-12,15-16,19-20H2,1-2H3/t28-,30-,35?/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354669
(US9809582, Example 12)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CCN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:39.41,(-6.67,-9.24,;-5.33,-10.01,;-4,-9.24,;-2.67,-10.01,;-1.33,-9.24,;-1.33,-7.7,;-2.67,-6.93,;-4,-7.7,;-5.33,-6.93,;-6.67,-7.7,;,-6.93,;1.33,-7.7,;2.67,-6.93,;4,-7.7,;4,-9.24,;5.33,-6.93,;5.33,-5.39,;6.67,-4.62,;4,-4.62,;2.67,-5.39,;1.33,-4.62,;,-5.39,;-1.33,-4.62,;-2.67,-5.39,;-1.33,-3.08,;,-2.31,;,-.77,;-1.33,,;-1.33,1.54,;,2.31,;,3.85,;1.33,4.62,;1.33,6.16,;,6.93,;-1.33,6.16,;-1.33,4.62,;1.33,7.7,;1.33,9.24,;2.67,6.93,;4,7.7,;5.33,6.93,;6.67,7.7,;6.67,9.24,;5.33,10.01,;4,9.24,;5.54,9.24,;5.13,7.7,;-1.33,7.7,;-1.33,9.24,;-2.67,10.01,;-4,9.24,;-4,7.7,;-2.67,6.93,;-2.67,-.77,;-2.67,-2.31,)| Show InChI InChI=1S/C43H47Cl2N3O7/c1-52-37-13-12-32(24-39(37)53-2)38(25-34-35(44)26-48(51)27-36(34)45)54-41(49)31-10-8-29(9-11-31)14-19-46-22-17-43(18-23-46,33-6-4-3-5-7-33)42(50)55-40-28-47-20-15-30(40)16-21-47/h3-13,24,26-27,30,38,40H,14-23,25,28H2,1-2H3/t38-,40-/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354667
(US9809582, Example 10)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.38,(-6.42,-8.73,;-5.09,-9.5,;-3.76,-8.73,;-2.42,-9.5,;-1.09,-8.73,;-1.09,-7.19,;-2.42,-6.42,;-3.76,-7.19,;-5.09,-6.42,;-6.42,-7.19,;.24,-6.42,;1.58,-7.19,;2.91,-6.42,;4.24,-7.19,;4.24,-8.73,;5.58,-6.42,;5.58,-4.88,;6.91,-4.11,;4.24,-4.11,;2.91,-4.88,;1.58,-4.11,;.24,-4.88,;-1.09,-4.11,;-2.42,-4.88,;-1.09,-2.57,;-2.34,-1.66,;-1.86,-.2,;-.32,-.2,;.45,1.14,;-.32,2.47,;-1.86,2.62,;.45,3.81,;-.32,5.14,;-1.09,6.47,;.77,6.23,;.37,7.72,;2.26,5.83,;3.35,6.92,;4.83,6.52,;5.92,7.61,;5.52,9.1,;4.04,9.5,;2.95,8.41,;4.43,8.8,;4.43,7.26,;-1.81,5.54,;-2.21,7.03,;-3.69,7.42,;-4.78,6.34,;-4.38,4.85,;-2.9,4.45,;.16,-1.66,)| Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354663
(US9809582, Example 5)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r| Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-25(14-16-40)47-35(42)28(23-7-5-4-6-8-23)20-39-19-26-10-12-34(49-26)36(43)48-32(18-27-29(37)21-41(44)22-30(27)38)24-9-11-31(45-2)33(17-24)46-3/h4-12,17,21-22,25,28,32,39H,13-16,18-20H2,1-3H3/t28?,32-/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354661
(US9809582, Example 3)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:38.40,(-6.45,-9.72,;-5.11,-10.49,;-3.78,-9.72,;-2.44,-10.49,;-1.11,-9.72,;-1.11,-8.18,;-2.44,-7.41,;-3.78,-8.18,;-5.11,-7.41,;-6.45,-8.18,;.22,-7.41,;1.56,-8.18,;2.89,-7.41,;2.89,-5.87,;1.56,-5.1,;4.22,-5.1,;5.56,-5.87,;6.89,-5.1,;5.56,-7.41,;4.22,-8.18,;4.22,-9.72,;.22,-5.87,;-1.11,-5.1,;-2.44,-5.87,;-1.11,-3.56,;-2.36,-2.66,;-1.88,-1.19,;-.34,-1.19,;.43,.14,;-.34,1.48,;.43,2.81,;-.34,4.14,;-1.88,4.14,;-2.65,2.81,;-1.88,1.48,;-1.48,5.63,;-2.57,6.72,;.01,6.03,;.4,7.52,;1.89,7.92,;2.29,9.4,;1.2,10.49,;-.29,10.09,;-.69,8.61,;.8,8.21,;.8,9.75,;-3.37,4.54,;-3.77,6.03,;-5.25,6.43,;-6.34,5.34,;-5.94,3.85,;-4.46,3.45,;.13,-2.66,)| Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-10-8-27(20-35(33)50-2)34(21-30-31(41)23-45(48)24-32(30)42)51-38(46)37-11-9-29(53-37)22-44-18-14-40(15-19-44,28-6-4-3-5-7-28)39(47)52-36-25-43-16-12-26(36)13-17-43/h3-11,20,23-24,26,34,36H,12-19,21-22,25H2,1-2H3/t34-,36-/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354688
(US9809582, Example 33 | US9809582, Example 36 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.39,(-7.16,-9.05,;-5.82,-9.82,;-4.49,-9.05,;-3.16,-9.82,;-1.82,-9.05,;-1.82,-7.51,;-3.16,-6.74,;-4.49,-7.51,;-5.82,-6.74,;-7.16,-7.51,;-.49,-6.74,;.85,-7.51,;2.18,-6.74,;2.18,-5.2,;.85,-4.43,;3.51,-4.43,;4.85,-5.2,;6.18,-4.43,;4.85,-6.74,;3.51,-7.51,;3.51,-9.05,;-.49,-5.2,;-1.82,-4.43,;-3.16,-5.2,;-1.82,-2.89,;-3.07,-1.99,;-2.59,-.52,;-1.05,-.52,;-.28,.81,;-1.05,2.14,;-.28,3.48,;1.21,3.87,;.81,5.36,;-.68,4.96,;2.3,4.96,;3.38,6.05,;2.69,3.48,;4.18,3.08,;4.58,1.59,;6.07,1.19,;7.16,2.28,;6.76,3.77,;5.27,4.17,;6.36,3.08,;4.98,2.28,;.41,6.85,;1.5,7.94,;1.1,9.43,;-.39,9.82,;-1.48,8.74,;-1.08,7.25,;-.58,-1.99,)| Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354659
(US9809582, Example 1 | [(1S)-2-(3,5-dichloro-1-oxi...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:35.36,(-6.42,-8.73,;-5.09,-9.5,;-3.76,-8.73,;-2.42,-9.5,;-1.09,-8.73,;-1.09,-7.19,;-2.42,-6.42,;-3.76,-7.19,;-5.09,-6.42,;-6.42,-7.19,;.24,-6.42,;1.58,-7.19,;2.91,-6.42,;4.24,-7.19,;4.24,-8.73,;5.58,-6.42,;5.58,-4.88,;6.91,-4.11,;4.24,-4.11,;2.91,-4.88,;1.58,-4.11,;.24,-4.88,;-1.09,-4.11,;-2.42,-4.88,;-1.09,-2.57,;-2.34,-1.66,;-1.86,-.2,;-.32,-.2,;.45,1.14,;-.32,2.47,;.45,3.81,;-.32,5.14,;.77,6.23,;.37,7.72,;2.26,5.83,;3.35,6.92,;4.83,6.52,;5.92,7.61,;5.52,9.1,;4.04,9.5,;2.95,8.41,;4.43,8.8,;4.43,7.26,;-1.81,5.54,;-2.21,7.03,;-3.69,7.42,;-4.78,6.34,;-4.38,4.85,;-2.9,4.45,;.16,-1.66,)| Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28?,32-,34-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354660
(US9809582, Example 2)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1 |r,wU:10.22,wD:35.36,(-7.34,-8.85,;-6,-9.63,;-4.67,-8.85,;-3.33,-9.63,;-2,-8.85,;-2,-7.31,;-3.33,-6.54,;-4.67,-7.31,;-6,-6.54,;-7.34,-7.31,;-.67,-6.54,;.67,-7.31,;2,-6.54,;2,-5,;.67,-4.23,;3.33,-4.23,;4.67,-5,;6,-4.23,;4.67,-6.54,;3.33,-7.31,;3.33,-8.85,;-.67,-5,;-2,-4.23,;-3.33,-5,;-2,-2.69,;-.67,-1.93,;-.67,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-.67,4.23,;.67,5,;2,4.23,;2,2.69,;3.33,5,;4.67,4.23,;4.67,2.69,;6,1.93,;7.34,2.69,;7.34,4.23,;6,5,;6.77,3.67,;5.28,3.27,;.67,6.54,;2,7.31,;2,8.85,;.67,9.63,;-.67,8.85,;-.67,7.31,;-3.33,-.38,;-3.33,-1.93,)| Show InChI InChI=1S/C39H41Cl2N3O7/c1-48-34-13-12-29(18-36(34)49-2)35(19-30-32(40)22-44(47)23-33(30)41)50-38(45)28-10-8-25(9-11-28)20-42-21-31(26-6-4-3-5-7-26)39(46)51-37-24-43-16-14-27(37)15-17-43/h3-13,18,22-23,27,31,35,37,42H,14-17,19-21,24H2,1-2H3/t31?,35-,37-/m0/s1 | PDB
Reactome pathway
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CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354687
(US9809582, Example 32 | US9809582, Example 34 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r,wU:10.22,(-8.04,-9.05,;-6.71,-9.82,;-5.37,-9.05,;-4.04,-9.82,;-2.7,-9.05,;-2.7,-7.51,;-4.04,-6.74,;-5.37,-7.51,;-6.71,-6.74,;-8.04,-7.51,;-1.37,-6.74,;-.04,-7.51,;1.3,-6.74,;1.3,-5.2,;-.04,-4.43,;2.63,-4.43,;3.96,-5.2,;5.3,-4.43,;3.96,-6.74,;2.63,-7.51,;2.63,-9.05,;-1.37,-5.2,;-2.7,-4.43,;-4.04,-5.2,;-2.7,-2.89,;-3.95,-1.98,;-3.47,-.52,;-1.93,-.52,;-1.03,.73,;-1.66,2.14,;-.89,3.47,;.6,3.87,;.2,5.35,;-1.28,4.96,;1.69,4.96,;2.78,6.05,;2.09,3.47,;3.58,3.07,;3.98,1.58,;5.46,1.18,;6.55,2.27,;8.04,1.87,;6.15,3.76,;4.67,4.16,;-.2,6.84,;.89,7.93,;.49,9.42,;-.99,9.82,;-2.08,8.73,;-1.68,7.24,;-1.46,-1.98,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354688
(US9809582, Example 33 | US9809582, Example 36 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.39,(-7.16,-9.05,;-5.82,-9.82,;-4.49,-9.05,;-3.16,-9.82,;-1.82,-9.05,;-1.82,-7.51,;-3.16,-6.74,;-4.49,-7.51,;-5.82,-6.74,;-7.16,-7.51,;-.49,-6.74,;.85,-7.51,;2.18,-6.74,;2.18,-5.2,;.85,-4.43,;3.51,-4.43,;4.85,-5.2,;6.18,-4.43,;4.85,-6.74,;3.51,-7.51,;3.51,-9.05,;-.49,-5.2,;-1.82,-4.43,;-3.16,-5.2,;-1.82,-2.89,;-3.07,-1.99,;-2.59,-.52,;-1.05,-.52,;-.28,.81,;-1.05,2.14,;-.28,3.48,;1.21,3.87,;.81,5.36,;-.68,4.96,;2.3,4.96,;3.38,6.05,;2.69,3.48,;4.18,3.08,;4.58,1.59,;6.07,1.19,;7.16,2.28,;6.76,3.77,;5.27,4.17,;6.36,3.08,;4.98,2.28,;.41,6.85,;1.5,7.94,;1.1,9.43,;-.39,9.82,;-1.48,8.74,;-1.08,7.25,;-.58,-1.99,)| Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1 | PDB
Reactome pathway
KEGG
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354685
(US9809582, Example 30 | US9809582, Example 31)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
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| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354681
(US9809582, Example 26 | US9809582, Example 27)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:37.38,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;-1.8,2.79,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| PC cid
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354678
(US9809582, Example 22)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OCCN(C)C)c2ccccc2)s1 |r| Show InChI InChI=1S/C34H37Cl2N3O7S/c1-38(2)14-15-45-33(40)26(22-8-6-5-7-9-22)19-37-18-24-11-13-32(47-24)34(41)46-30(17-25-27(35)20-39(42)21-28(25)36)23-10-12-29(43-3)31(16-23)44-4/h5-13,16,20-21,26,30,37H,14-15,17-19H2,1-4H3/t26?,30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354677
(US9809582, Example 21)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:31.32,35.36,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,5.54,;-2.25,7.03,;-3.74,7.42,;-4.83,6.34,;-4.43,4.85,;-2.94,4.45,;.11,-1.66,)| Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32+,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| PC cid
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UniChem
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354675
(US9809582, Example 19)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,31.34,wD:31.33,36.37,(-6.47,-8.73,;-5.13,-9.5,;-3.8,-8.73,;-2.47,-9.5,;-1.13,-8.73,;-1.13,-7.19,;-2.47,-6.42,;-3.8,-7.19,;-5.13,-6.42,;-6.47,-7.19,;.2,-6.42,;1.53,-7.19,;2.87,-6.42,;2.87,-4.88,;1.53,-4.11,;4.2,-4.11,;5.53,-4.88,;6.87,-4.11,;5.53,-6.42,;4.2,-7.19,;4.2,-8.73,;.2,-4.88,;-1.13,-4.11,;-2.47,-4.88,;-1.13,-2.57,;-2.38,-1.66,;-1.9,-.2,;-.36,-.2,;.41,1.14,;-.36,2.47,;.41,3.81,;-.36,5.14,;-1.13,6.47,;.73,6.23,;.33,7.72,;2.21,5.83,;3.3,6.92,;4.79,6.52,;5.88,7.61,;5.48,9.1,;3.99,9.5,;2.9,8.41,;4.39,8.8,;4.39,7.21,;-1.85,4.74,;-2.94,5.83,;-4.43,5.43,;-4.83,3.94,;-3.74,2.85,;-2.25,3.25,;.11,-1.66,)| Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| PC cid
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| US Patent
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354665
(US9809582, Example 24 | US9809582, Example 25 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r| Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354666
(US9809582, Example 28 | US9809582, Example 29 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1 |r| Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354666
(US9809582, Example 28 | US9809582, Example 29 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1 |r| Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354662
(US9809582, Example 4)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1 |r| Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-24(19-39)46-34(41)27(22-7-5-4-6-8-22)18-38-17-25-10-12-33(48-25)35(42)47-31(16-26-28(36)20-40(43)21-29(26)37)23-9-11-30(44-2)32(15-23)45-3/h4-12,15,20-21,24,27,31,38H,13-14,16-19H2,1-3H3/t24-,27?,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354665
(US9809582, Example 24 | US9809582, Example 25 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r| Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354668
(US9809582, Example 11)Show SMILES COc1ccc(cc1OC)[C@@H](OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)Oc1c(Cl)c[n+]([O-])cc1Cl |r,wU:10.49,wD:28.29,(-8,-8.47,;-6.67,-9.24,;-5.33,-8.47,;-4,-9.24,;-2.67,-8.47,;-2.67,-6.93,;-4,-6.16,;-5.33,-6.93,;-6.67,-6.16,;-8,-6.93,;-1.33,-6.16,;-1.33,-4.62,;-2.67,-3.85,;-4,-4.62,;-2.67,-2.31,;-1.33,-1.54,;-1.33,,;-2.67,.77,;-2.67,2.31,;-1.33,3.08,;,2.31,;1.33,3.08,;1.33,4.62,;,5.39,;-1.33,4.62,;2.67,3.85,;2.67,2.31,;4,4.62,;5.33,3.85,;5.33,2.31,;6.67,1.54,;8,2.31,;8,3.85,;6.67,4.62,;7.44,3.29,;5.95,2.89,;1.33,6.16,;2.67,6.93,;2.67,8.47,;1.33,9.24,;,8.47,;,6.93,;-4,,;-4,-1.54,;,-6.93,;1.33,-6.16,;2.67,-6.93,;2.67,-8.47,;4,-6.16,;4,-4.62,;5.33,-3.85,;2.67,-3.85,;1.33,-4.62,;,-3.85,)| Show InChI InChI=1S/C41H43Cl2N3O8/c1-50-34-13-12-30(22-35(34)51-2)39(53-37-32(42)24-46(49)25-33(37)43)54-38(47)29-10-8-27(9-11-29)23-45-20-16-41(17-21-45,31-6-4-3-5-7-31)40(48)52-36-26-44-18-14-28(36)15-19-44/h3-13,22,24-25,28,36,39H,14-21,23,26H2,1-2H3/t36-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354687
(US9809582, Example 32 | US9809582, Example 34 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r,wU:10.22,(-8.04,-9.05,;-6.71,-9.82,;-5.37,-9.05,;-4.04,-9.82,;-2.7,-9.05,;-2.7,-7.51,;-4.04,-6.74,;-5.37,-7.51,;-6.71,-6.74,;-8.04,-7.51,;-1.37,-6.74,;-.04,-7.51,;1.3,-6.74,;1.3,-5.2,;-.04,-4.43,;2.63,-4.43,;3.96,-5.2,;5.3,-4.43,;3.96,-6.74,;2.63,-7.51,;2.63,-9.05,;-1.37,-5.2,;-2.7,-4.43,;-4.04,-5.2,;-2.7,-2.89,;-3.95,-1.98,;-3.47,-.52,;-1.93,-.52,;-1.03,.73,;-1.66,2.14,;-.89,3.47,;.6,3.87,;.2,5.35,;-1.28,4.96,;1.69,4.96,;2.78,6.05,;2.09,3.47,;3.58,3.07,;3.98,1.58,;5.46,1.18,;6.55,2.27,;8.04,1.87,;6.15,3.76,;4.67,4.16,;-.2,6.84,;.89,7.93,;.49,9.42,;-.99,9.82,;-2.08,8.73,;-1.68,7.24,;-1.46,-1.98,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354685
(US9809582, Example 30 | US9809582, Example 31)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |r,wU:10.22,wD:36.37,(-6.42,-8.8,;-5.08,-9.57,;-3.75,-8.8,;-2.41,-9.57,;-1.08,-8.8,;-1.08,-7.26,;-2.41,-6.49,;-3.75,-7.26,;-5.08,-6.49,;-6.42,-7.26,;.25,-6.49,;1.59,-7.26,;2.92,-6.49,;2.92,-4.95,;1.59,-4.18,;4.25,-4.18,;5.59,-4.95,;6.92,-4.18,;5.59,-6.49,;4.25,-7.26,;4.25,-8.8,;.25,-4.95,;-1.08,-4.18,;-2.41,-4.95,;-1.08,-2.64,;-2.33,-1.74,;-1.85,-.27,;-.31,-.27,;.46,1.06,;-.31,2.4,;.46,3.73,;.06,5.22,;-.34,6.7,;1.15,6.31,;.75,7.79,;2.64,5.91,;3.73,7,;5.21,6.6,;6.3,7.69,;5.9,9.17,;4.42,9.57,;3.33,8.48,;4.42,7.39,;5.21,8.77,;-1.43,5.61,;-2.52,4.53,;-4,4.92,;-4.4,6.41,;-3.31,7.5,;-1.83,7.1,;.16,-1.74,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354666
(US9809582, Example 28 | US9809582, Example 29 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1 |r| Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354687
(US9809582, Example 32 | US9809582, Example 34 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r,wU:10.22,(-8.04,-9.05,;-6.71,-9.82,;-5.37,-9.05,;-4.04,-9.82,;-2.7,-9.05,;-2.7,-7.51,;-4.04,-6.74,;-5.37,-7.51,;-6.71,-6.74,;-8.04,-7.51,;-1.37,-6.74,;-.04,-7.51,;1.3,-6.74,;1.3,-5.2,;-.04,-4.43,;2.63,-4.43,;3.96,-5.2,;5.3,-4.43,;3.96,-6.74,;2.63,-7.51,;2.63,-9.05,;-1.37,-5.2,;-2.7,-4.43,;-4.04,-5.2,;-2.7,-2.89,;-3.95,-1.98,;-3.47,-.52,;-1.93,-.52,;-1.03,.73,;-1.66,2.14,;-.89,3.47,;.6,3.87,;.2,5.35,;-1.28,4.96,;1.69,4.96,;2.78,6.05,;2.09,3.47,;3.58,3.07,;3.98,1.58,;5.46,1.18,;6.55,2.27,;8.04,1.87,;6.15,3.76,;4.67,4.16,;-.2,6.84,;.89,7.93,;.49,9.42,;-.99,9.82,;-2.08,8.73,;-1.68,7.24,;-1.46,-1.98,)| Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM354665
(US9809582, Example 24 | US9809582, Example 25 | US...)Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1 |r| Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
CHIESI FARMACEUTICI S.p.A.
US Patent
| Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without... |
US Patent US9809582 (2017)
BindingDB Entry DOI: 10.7270/Q2H1345N |
More data for this
Ligand-Target Pair | |
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