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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50048517   
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 M2


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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0.269n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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1.60n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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6n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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6.5n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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10n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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31n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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34n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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38n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM81452
PNG
(CAS_91533 | Dimethindene | NSC_91533)
Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
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45n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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66n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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93n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM81452
PNG
(CAS_91533 | Dimethindene | NSC_91533)
Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
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191n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM81452
PNG
(CAS_91533 | Dimethindene | NSC_91533)
Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
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263n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219396
PNG
(CHEMBL21716)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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324n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219395
PNG
(CHEMBL278074)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13+
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331n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81452
PNG
(CAS_91533 | Dimethindene | NSC_91533)
Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
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407n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219393
PNG
(CHEMBL21321)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+
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417n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50076089
PNG
((3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methy...)
Show SMILES C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12
Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1
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490n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM81901
PNG
(AF-DX 384 | CAS_119356 | CHEMBL279453 | NSC_119356)
Show SMILES CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)
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537n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM81452
PNG
(CAS_91533 | Dimethindene | NSC_91533)
Show SMILES CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|
Show InChI InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3
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794n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219393
PNG
(CHEMBL21321)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+
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891n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50219396
PNG
(CHEMBL21716)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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977n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50219395
PNG
(CHEMBL278074)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13+
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1.05E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219393
PNG
(CHEMBL21321)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+
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1.23E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50219393
PNG
(CHEMBL21321)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+
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1.23E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219395
PNG
(CHEMBL278074)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13+
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1.26E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219396
PNG
(CHEMBL21716)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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1.48E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219396
PNG
(CHEMBL21716)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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1.70E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219393
PNG
(CHEMBL21321)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-10-7-17(22)8-11-25)21-13-18(12-16-4-3-9-24-14-16)19-5-1-2-6-20(19)21/h1-6,9,12-14,17,22H,7-8,10-11,15H2/b18-12+
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1.70E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219396
PNG
(CHEMBL21716)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-8-16(22)9-12-25)21-14-17(13-18-5-3-4-10-24-18)19-6-1-2-7-20(19)21/h1-7,10,13-14,16,22H,8-9,11-12,15H2/b17-13+
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1.74E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219395
PNG
(CHEMBL278074)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13+
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1.82E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219395
PNG
(CHEMBL278074)
Show SMILES O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|
Show InChI InChI=1S/C23H22N2O2/c26-23(27-22-15-25-11-7-17(22)8-12-25)21-14-18(13-16-5-9-24-10-6-16)19-3-1-2-4-20(19)21/h1-6,9-10,13-14,17,22H,7-8,11-12,15H2/b18-13+
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2.09E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
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7.08E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219391
PNG
(CHEMBL280684)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)10-11-24-20(23)19-13-16(12-15-6-5-9-21-14-15)17-7-3-4-8-18(17)19/h3-9,12-14H,10-11H2,1-2H3/b16-12+
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7.41E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219350
PNG
(CHEMBL279225)
Show SMILES CN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H23N3O/c1-23(2)12-13-24(3)21(25)20-15-16(14-17-8-6-7-11-22-17)18-9-4-5-10-19(18)20/h4-11,14-15H,12-13H2,1-3H3/b16-14+
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9.12E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219354
PNG
(CHEMBL21509)
Show SMILES CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
Show InChI InChI=1S/C19H20N2/c1-21(2)12-10-15-13-16(14-17-7-5-6-11-20-17)19-9-4-3-8-18(15)19/h3-9,11,13-14H,10,12H2,1-2H3/b16-14+
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9.55E+3n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219391
PNG
(CHEMBL280684)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)10-11-24-20(23)19-13-16(12-15-6-5-9-21-14-15)17-7-3-4-8-18(17)19/h3-9,12-14H,10-11H2,1-2H3/b16-12+
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1.00E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219392
PNG
(CHEMBL278129)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b16-13+
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1.05E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219391
PNG
(CHEMBL280684)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)10-11-24-20(23)19-13-16(12-15-6-5-9-21-14-15)17-7-3-4-8-18(17)19/h3-9,12-14H,10-11H2,1-2H3/b16-12+
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1.15E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50219392
PNG
(CHEMBL278129)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-16(13-15-7-9-21-10-8-15)17-5-3-4-6-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b16-13+
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1.20E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
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1.20E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219354
PNG
(CHEMBL21509)
Show SMILES CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
Show InChI InChI=1S/C19H20N2/c1-21(2)12-10-15-13-16(14-17-7-5-6-11-20-17)19-9-4-3-8-18(15)19/h3-9,11,13-14H,10,12H2,1-2H3/b16-14+
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1.20E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
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1.23E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50219391
PNG
(CHEMBL280684)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)10-11-24-20(23)19-13-16(12-15-6-5-9-21-14-15)17-7-3-4-8-18(17)19/h3-9,12-14H,10-11H2,1-2H3/b16-12+
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1.26E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219354
PNG
(CHEMBL21509)
Show SMILES CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|
Show InChI InChI=1S/C19H20N2/c1-21(2)12-10-15-13-16(14-17-7-5-6-11-20-17)19-9-4-3-8-18(15)19/h3-9,11,13-14H,10,12H2,1-2H3/b16-14+
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1.26E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50219394
PNG
(CHEMBL20732)
Show SMILES CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|
Show InChI InChI=1S/C20H20N2O2/c1-22(2)11-12-24-20(23)19-14-15(13-16-7-5-6-10-21-16)17-8-3-4-9-18(17)19/h3-10,13-14H,11-12H2,1-2H3/b15-13+
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PubMed
1.41E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]-NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50219349
PNG
(CHEMBL21328)
Show SMILES CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H23N3O/c1-23(2)11-12-24(3)21(25)20-14-17(13-16-7-6-10-22-15-16)18-8-4-5-9-19(18)20/h4-10,13-15H,11-12H2,1-3H3/b17-13+
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antibodypedia
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PC sid
UniChem

Similars

PubMed
1.41E+4n/an/an/an/an/an/an/an/a



University of Mainz

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]NMS displacement.


Bioorg Med Chem Lett 11: 1241-3 (2001)


BindingDB Entry DOI: 10.7270/Q21R6SP8
More data for this
Ligand-Target Pair
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