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Compile Data Set for Download or QSAR

Found 49 hits of kd data for polymerid = 49000363,49000373   
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


(RAT)
BDBM50450592
PNG
(CHEMBL558910)
Show SMILES OC(C(=O)O[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(8.38,-12.97,;7.3,-14.07,;8.63,-14.83,;8.64,-16.37,;9.97,-14.06,;11.3,-14.82,;11.3,-16.36,;12.63,-17.13,;13.96,-16.36,;13.96,-14.82,;12.63,-14.05,;13.05,-15.29,;12,-15.64,;5.97,-14.84,;4.63,-14.07,;3.3,-14.84,;3.31,-16.38,;4.65,-17.15,;5.98,-16.37,;7.29,-12.53,;8.62,-11.76,;8.62,-10.22,;7.28,-9.45,;5.95,-10.23,;5.96,-11.77,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2/t19-/m0/s1
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n/an/an/a 0.200n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50453895
PNG
(CHEMBL2111842)
Show SMILES O[C@@](C\C=C/I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;6.42,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4-/t16-,18+/m0/s1
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n/an/an/a 0.430n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015727
PNG
(7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3...)
Show SMILES C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:9:8:1:4.6.5,9:10:1:4.6.5|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1
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n/an/an/a 0.440n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/an/a 0.630n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/an/a 0.650n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015727
PNG
(7-(3-Hydroxy-2-phenyl-propionyloxy)-9,9-dimethyl-3...)
Show SMILES C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:9:8:1:4.6.5,9:10:1:4.6.5|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1
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n/an/an/a 0.870n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015721
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-iminomethyl-8-...)
Show SMILES OCC(C(=O)OC1CC2CCC(C1)N2C=N)c1ccccc1
Show InChI InChI=1S/C17H22N2O3/c18-11-19-13-6-7-14(19)9-15(8-13)22-17(21)16(10-20)12-4-2-1-3-5-12/h1-5,11,13-16,18,20H,6-10H2
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n/an/an/a 1.40n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015721
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-iminomethyl-8-...)
Show SMILES OCC(C(=O)OC1CC2CCC(C1)N2C=N)c1ccccc1
Show InChI InChI=1S/C17H22N2O3/c18-11-19-13-6-7-14(19)9-15(8-13)22-17(21)16(10-20)12-4-2-1-3-5-12/h1-5,11,13-16,18,20H,6-10H2
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n/an/an/a 1.60n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 2.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015723
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)
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n/an/an/a 2.5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015728
PNG
(3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1
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n/an/an/a 2.60n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015728
PNG
(3-(3-Hydroxy-2-phenyl-propionyloxy)-8,8-dimethyl-8...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1
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n/an/an/a 2.70n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/an/a 2.70n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/an/a 3n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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n/an/an/a 3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the blocking of cardiac muscarinic M2 receptor was reported.


Bioorg Med Chem Lett 2: 797-802 (1992)


Article DOI: 10.1016/S0960-894X(00)80534-X
BindingDB Entry DOI: 10.7270/Q22R3RKP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015722
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-(1-imino-ethyl...)
Show SMILES CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H24N2O3/c1-12(19)20-14-7-8-15(20)10-16(9-14)23-18(22)17(11-21)13-5-3-2-4-6-13/h2-6,14-17,19,21H,7-11H2,1H3
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n/an/an/a 3.10n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281909
PNG
((R)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m1/s1
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n/an/an/a 3.20n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015724
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-(1-imino-ethyl...)
Show SMILES CC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
Show InChI InChI=1S/C18H22N2O4/c1-10(19)20-14-7-12(8-15(20)17-16(14)24-17)23-18(22)13(9-21)11-5-3-2-4-6-11/h2-6,12-17,19,21H,7-9H2,1H3
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n/an/an/a 3.5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015726
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
Show InChI InChI=1S/C17H21N3O4/c18-17(19)20-12-6-10(7-13(20)15-14(12)24-15)23-16(22)11(8-21)9-4-2-1-3-5-9/h1-5,10-15,21H,6-8H2,(H3,18,19)
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n/an/an/a 4.5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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n/an/an/a 4.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.


Bioorg Med Chem Lett 2: 797-802 (1992)


Article DOI: 10.1016/S0960-894X(00)80534-X
BindingDB Entry DOI: 10.7270/Q22R3RKP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015719
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-iminomethyl-3-...)
Show SMILES OCC(C(=O)OC1CC2C3OC3C(C1)N2C=N)c1ccccc1 |TLB:10:11:14:7.13.6,10:9:14:7.13.6|
Show InChI InChI=1S/C17H20N2O4/c18-9-19-13-6-11(7-14(19)16-15(13)23-16)22-17(21)12(8-20)10-4-2-1-3-5-10/h1-5,9,11-16,18,20H,6-8H2
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n/an/an/a 5n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015724
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-(1-imino-ethyl...)
Show SMILES CC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
Show InChI InChI=1S/C18H22N2O4/c1-10(19)20-14-7-12(8-15(20)17-16(14)24-17)23-18(22)13(9-21)11-5-3-2-4-6-11/h2-6,12-17,19,21H,7-9H2,1H3
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n/an/an/a 6.70n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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n/an/an/a 6.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the blocking of heart muscarinic M2 receptor was reported.


Bioorg Med Chem Lett 2: 797-802 (1992)


Article DOI: 10.1016/S0960-894X(00)80534-X
BindingDB Entry DOI: 10.7270/Q22R3RKP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281905
PNG
(2-[3-(10H-Anthracen-9-ylidene)-propyl]-1-methyl-pi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,9-10,13-15,20H,6-8,11-12,16-17H2,1H3
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n/an/an/a 7.60n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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n/an/an/a 9.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015722
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-(1-imino-ethyl...)
Show SMILES CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C18H24N2O3/c1-12(19)20-14-7-8-15(20)10-16(9-14)23-18(22)17(11-21)13-5-3-2-4-6-13/h2-6,14-17,19,21H,7-11H2,1H3
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n/an/an/a 10n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
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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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015719
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-iminomethyl-3-...)
Show SMILES OCC(C(=O)OC1CC2C3OC3C(C1)N2C=N)c1ccccc1 |TLB:10:11:14:7.13.6,10:9:14:7.13.6|
Show InChI InChI=1S/C17H20N2O4/c18-9-19-13-6-11(7-14(19)16-15(13)23-16)22-17(21)12(8-20)10-4-2-1-3-5-10/h1-5,9,11-16,18,20H,6-8H2
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n/an/an/a 10n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015723
PNG
(3-Hydroxy-2-phenyl-propionic acid 8-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)
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n/an/an/a 11n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281902
PNG
((R)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m1/s1
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n/an/an/a 15n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from muscarinic receptor 1 expressed in CHO-K1 cells


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281903
PNG
((S)-2-[(E)-2-(9,10-Dihydro-anthracen-9-yl)-vinyl]-...)
Show SMILES CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,19,22H,6-7,10,15-16H2,1H3/b14-13+/t19-/m0/s1
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n/an/an/a 21n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015726
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-carbamimidoyl-...)
Show SMILES NC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|
Show InChI InChI=1S/C17H21N3O4/c18-17(19)20-12-6-10(7-13(20)15-14(12)24-15)23-16(22)11(8-21)9-4-2-1-3-5-9/h1-5,10-15,21H,6-8H2,(H3,18,19)
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n/an/an/a 23n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281904
PNG
(2-[(E)-3-(9,10-Dihydro-anthracen-9-yl)-allyl]-1-me...)
Show SMILES CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H27N/c1-24-16-7-6-11-20(24)12-8-15-23-21-13-4-2-9-18(21)17-19-10-3-5-14-22(19)23/h2-5,8-10,13-15,20,23H,6-7,11-12,16-17H2,1H3/b15-8+
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n/an/an/a 23n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281906
PNG
(2-[(E)-2-(9,9a-Dihydro-4aH-xanthen-9-yl)-vinyl]-1-...)
Show SMILES CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12 |c:12,14|
Show InChI InChI=1S/C21H25NO/c1-22-15-7-6-8-16(22)13-14-17-18-9-2-4-11-20(18)23-21-12-5-3-10-19(17)21/h2-5,9-14,16-18,20H,6-8,15H2,1H3/b14-13+
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n/an/an/a 25n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;9.1,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
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n/an/an/a 30n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281907
PNG
((S)-2-[2-(10H-Anthracen-9-ylidene)-ethyl]-1-methyl...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12
Show InChI InChI=1S/C22H25N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1H3/t19-/m0/s1
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n/an/an/a 35n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50031098
PNG
((E)-(R)-2-Hydroxy-5-iodo-2-phenyl-pent-4-enoic aci...)
Show SMILES O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;9.1,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|
Show InChI InChI=1S/C18H22INO3/c19-10-4-9-18(22,15-5-2-1-3-6-15)17(21)23-16-13-20-11-7-14(16)8-12-20/h1-6,10,14,16,22H,7-9,11-13H2/b10-4+/t16-,18+/m0/s1
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n/an/an/a 41n/an/an/an/an/a



Oak Ridge National Laboratory (ORNL)

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-QNB as radioligand from rat heart tissue


J Med Chem 38: 3908-17 (1995)


BindingDB Entry DOI: 10.7270/Q24M9567
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284322
PNG
(Acetic acid (1R,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((...)
Show SMILES C[C@@H]1O[C@H](OC(C)=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/C24H39NO3/c1-15-8-7-10-19(25(15)4)12-13-21-20-11-6-5-9-18(20)14-22-23(21)16(2)27-24(22)28-17(3)26/h12-13,15-16,18-24H,5-11,14H2,1-4H3/b13-12+/t15-,16-,18+,19+,20-,21+,22-,23+,24+/m0/s1
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n/an/an/a 89n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284324
PNG
((1S,3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-D...)
Show SMILES C[C@@H]1O[C@H](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/C22H37NO2/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/h11-12,14-22,24H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+,22-/m0/s1
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n/an/an/a 96n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50015725
PNG
(9-Butyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-meth...)
Show SMILES CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:12:13:4:7.9.8,12:11:4:7.9.8,5:4:13.11:7.9.8,THB:14:8:13.11:4,3:4:13.11:7.9.8,(8.31,-5.85,;8.31,-7.34,;7.18,-8.25,;7.18,-9.56,;8.17,-10.66,;9.46,-9.56,;9.43,-11.94,;11.61,-11.94,;12.31,-13.99,;11.05,-12.72,;8.82,-12.72,;7.67,-13.21,;6.67,-12.41,;7.65,-12.83,;12.31,-15.16,;13.71,-15.9,;13.69,-17.41,;15.08,-15.2,;16.37,-15.99,;16.37,-17.51,;15.08,-13.69,;16.49,-13,;16.49,-11.4,;15.29,-10.61,;13.87,-11.26,;13.87,-12.86,)|
Show InChI InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1
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Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50015725
PNG
(9-Butyl-7-(3-hydroxy-2-phenyl-propionyloxy)-9-meth...)
Show SMILES CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:12:13:4:7.9.8,12:11:4:7.9.8,5:4:13.11:7.9.8,THB:14:8:13.11:4,3:4:13.11:7.9.8,(8.31,-5.85,;8.31,-7.34,;7.18,-8.25,;7.18,-9.56,;8.17,-10.66,;9.46,-9.56,;9.43,-11.94,;11.61,-11.94,;12.31,-13.99,;11.05,-12.72,;8.82,-12.72,;7.67,-13.21,;6.67,-12.41,;7.65,-12.83,;12.31,-15.16,;13.71,-15.9,;13.69,-17.41,;15.08,-15.2,;16.37,-15.99,;16.37,-17.51,;15.08,-13.69,;16.49,-13,;16.49,-11.4,;15.29,-10.61,;13.87,-11.26,;13.87,-12.86,)|
Show InChI InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1
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n/an/an/a 220n/an/an/an/an/a



Istituto De Angeli

Curated by ChEMBL


Assay Description
In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine


J Med Chem 33: 2108-13 (1990)


BindingDB Entry DOI: 10.7270/Q2Z60PN5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284321
PNG
(Acetic acid (S)-1-{(1R,2R,3S,4aR,8aS)-3-acetoxymet...)
Show SMILES C[C@H](OC(C)=O)[C@H]1[C@@H](COC(C)=O)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C26H43NO4/c1-17-9-8-11-23(27(17)5)13-14-25-24-12-7-6-10-21(24)15-22(16-30-19(3)28)26(25)18(2)31-20(4)29/h13-14,17-18,21-26H,6-12,15-16H2,1-5H3/b14-13+/t17-,18-,21+,22+,23+,24-,25+,26-/m0/s1
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n/an/an/a 249n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284320
PNG
((S)-1-{(1R,2R,3S,4aR,8aS)-1-[(E)-2-((2R,6S)-1,6-Di...)
Show SMILES C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C
Show InChI InChI=1S/C22H39NO2/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18(14-24)22(21)16(2)25/h11-12,15-22,24-25H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 293n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284319
PNG
((2S,6R)-1,2-Dimethyl-6-[(E)-2-((3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1OC[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/C22H37NO/c1-15-7-6-9-19(23(15)3)11-12-21-20-10-5-4-8-17(20)13-18-14-24-16(2)22(18)21/h11-12,15-22H,4-10,13-14H2,1-3H3/b12-11+/t15-,16-,17+,18+,19+,20-,21+,22-/m0/s1
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n/an/an/a 353n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284323
PNG
(2,2-Dimethyl-propionic acid (1R,3S,3aR,4R,4aS,8aR,...)
Show SMILES C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[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/C27H45NO3/c1-17-10-9-12-20(28(17)6)14-15-22-21-13-8-7-11-19(21)16-23-24(22)18(2)30-25(23)31-26(29)27(3,4)5/h14-15,17-25H,7-13,16H2,1-6H3/b15-14+/t17-,18-,19+,20+,21-,22+,23-,24+,25+/m0/s1
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n/an/an/a 464n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against M2 receptor in rat brainstem cells using radioligand [3H]-quinuclidinyl benzilate ([3H]-QNB)


Bioorg Med Chem Lett 5: 61-66 (1995)


Article DOI: 10.1016/0960-894X(94)00459-S
BindingDB Entry DOI: 10.7270/Q23778PW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50281908
PNG
(2-((E)-2-Anthracen-9-yl-vinyl)-1-methyl-piperidine...)
Show SMILES CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C22H23N/c1-23-15-7-6-10-19(23)13-14-22-20-11-4-2-8-17(20)16-18-9-3-5-12-21(18)22/h2-5,8-9,11-14,16,19H,6-7,10,15H2,1H3/b14-13+
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n/an/an/a 635n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 1.21E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant for the blocking of brainstem muscarinic M2 receptor was reported.


Bioorg Med Chem Lett 2: 797-802 (1992)


Article DOI: 10.1016/S0960-894X(00)80534-X
BindingDB Entry DOI: 10.7270/Q22R3RKP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50280521
PNG
((4R,5S)-5-Methyl-4-[(E)-3-((R)-1-methyl-piperidin-...)
Show SMILES C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C
Show InChI InChI=1S/C14H23NO2/c1-11-12(10-14(16)17-11)6-5-8-13-7-3-4-9-15(13)2/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3/b8-5+/t11-,12+,13+/m0/s1
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n/an/an/a 1.21E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from rat brain stem muscarinic receptor 2 (M2)


Bioorg Med Chem Lett 3: 1247-1252 (1993)


Article DOI: 10.1016/S0960-894X(00)80325-X
BindingDB Entry DOI: 10.7270/Q2348K91
More data for this
Ligand-Target Pair