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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50041597   
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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0.302n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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2.82n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m1/s1
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3.47n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
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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3.55n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m0/s1
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4.47n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m0/s1
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5.37n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m1/s1
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6.31n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
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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11.5n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m1/s1
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12.3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m0/s1
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12.6n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m1/s1
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12.9n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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13.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m0/s1
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18.6n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m1/s1
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22.4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m0/s1
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39.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m0/s1
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40.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m1/s1
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44.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/m0/s1
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45.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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47.9n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|
Show InChI InChI=1S/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/m1/s1
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49.0n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
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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148n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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174n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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646n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412311
PNG
(CHEMBL478226)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412311
PNG
(CHEMBL478226)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20-/m1/s1
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2.29E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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2.45E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412311
PNG
(CHEMBL478226)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20-/m1/s1
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6.61E+3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412311
PNG
(CHEMBL478226)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412310
PNG
(CHEMBL478227)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|
Show InChI InChI=1S/C23H27N5O2/c1-26-13-14-27(20-11-5-4-10-19(20)26)15-21(29)28-18-9-3-2-7-16(18)23(30)25-17-8-6-12-24-22(17)28/h2-3,6-9,12,19-20H,4-5,10-11,13-15H2,1H3,(H,25,30)/t19-,20+/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair