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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'machulskis' and Initial = 'ac'   
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 M1/M2/M3/M4/M5


(RAT)
BDBM50006245
PNG
(CHEMBL59587 | Trimethyl-(5-methyl-4-oxo-tetrahydro...)
Show SMILES C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O
Show InChI InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8+/m0/s1
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700n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470759
PNG
(CHEMBL1794940)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2OCCOC12
Show InChI InChI=1S/C12H21NO3.C4H4O4.C2H2O4/c1-9-10-11(15-8-7-14-10)12(16-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-;
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1.47E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470758
PNG
(CHEMBL1794941)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CC1OC2(CCN(C)CC2)C2SCCSC12
Show InChI InChI=1S/C12H21NOS2.C4H4O4.C2H2O4/c1-9-10-11(16-8-7-15-10)12(14-9)3-5-13(2)6-4-12;5-3(6)1-2-4(7)8;3-1(4)2(5)6/h9-11H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b;2-1-;
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1.47E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470766
PNG
(CHEMBL40032)
Show SMILES CC1OC2(C\C1=N/O)CCN(C)CC2
Show InChI InChI=1S/C10H18N2O2/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10/h8,13H,3-7H2,1-2H3/b11-9+
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1.63E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284961
PNG
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470770
PNG
(CHEMBL40063)
Show SMILES CCC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C11H19NO2/c1-3-10-9(13)8-11(14-10)4-6-12(2)7-5-11/h10H,3-8H2,1-2H3
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2.58E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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2.68E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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3.67E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50284961
PNG
((S)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288143
PNG
(4-Cyclohexyl-benzoic acid [2,8-dimethyl-1-oxa-8-az...)
Show SMILES CC1OC2(CC1=NNC(=O)c1ccc(cc1)C1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C23H33N3O2/c1-17-21(16-23(28-17)12-14-26(2)15-13-23)24-25-22(27)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-16H2,1-2H3,(H,25,27)
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4.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50034651
PNG
(2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one | C...)
Show SMILES CC1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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5.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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7.12E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288159
PNG
(5-Cyclohexyl-pentanoic acid [2,8-dimethyl-1-oxa-8-...)
Show SMILES CC1OC2(CC1=NNC(=O)CCCCC1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C21H37N3O2/c1-17-19(16-21(26-17)12-14-24(2)15-13-21)22-23-20(25)11-7-6-10-18-8-4-3-5-9-18/h17-18H,3-16H2,1-2H3,(H,23,25)
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8.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50034625
PNG
(Aceclidine | Acetic acid 1-aza-bicyclo[2.2.2]oct-3...)
Show SMILES CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)|
Show InChI InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
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8.26E+3n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288156
PNG
(CHEMBL81954 | Octanoic acid N'-[2,8-dimethyl-1-oxa...)
Show SMILES CCCCCCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:11.10|
Show InChI InChI=1S/C19H35N3O2/c1-5-6-7-8-9-10-18(23)22(4)20-17-15-19(24-16(17)2)11-13-21(3)14-12-19/h16H,5-15H2,1-4H3
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8.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288153
PNG
(CHEMBL420596 | Nonanoic acid [2,8-dimethyl-1-oxa-8...)
Show SMILES CCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:11.10|
Show InChI InChI=1S/C19H35N3O2/c1-4-5-6-7-8-9-10-18(23)21-20-17-15-19(24-16(17)2)11-13-22(3)14-12-19/h16H,4-15H2,1-3H3,(H,21,23)
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9.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288167
PNG
(CHEMBL84985 | Octanoic acid [2,8-dimethyl-1-oxa-8-...)
Show SMILES CCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:10.9|
Show InChI InChI=1S/C18H33N3O2/c1-4-5-6-7-8-9-17(22)20-19-16-14-18(23-15(16)2)10-12-21(3)13-11-18/h15H,4-14H2,1-3H3,(H,20,22)
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9.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O |r|
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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9.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288163
PNG
(CHEMBL84109 | Naphthalen-2-yl-acetic acid [2,8-dim...)
Show SMILES CC1OC2(CC1=NNC(=O)Cc1ccc3ccccc3c1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C22H27N3O2/c1-16-20(15-22(27-16)9-11-25(2)12-10-22)23-24-21(26)14-17-7-8-18-5-3-4-6-19(18)13-17/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,24,26)
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Article
1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288144
PNG
(4-Cyclohexyl-butyric acid [2,8-dimethyl-1-oxa-8-az...)
Show SMILES CC1OC2(CC1=NNC(=O)CCCC1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C20H35N3O2/c1-16-18(15-20(25-16)11-13-23(2)14-12-20)21-22-19(24)10-6-9-17-7-4-3-5-8-17/h16-17H,3-15H2,1-2H3,(H,22,24)
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Article
1.36E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288147
PNG
(CHEMBL314796 | Decanoic acid [2,8-dimethyl-1-oxa-8...)
Show SMILES CCCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:12.11|
Show InChI InChI=1S/C20H37N3O2/c1-4-5-6-7-8-9-10-11-19(24)22-21-18-16-20(25-17(18)2)12-14-23(3)15-13-20/h17H,4-16H2,1-3H3,(H,22,24)
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Article
1.44E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288158
PNG
(2,2-Dimethyl-propionic acid [2,8-dimethyl-1-oxa-8-...)
Show SMILES CC1OC2(CC1=NNC(=O)C(C)(C)C)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C15H27N3O2/c1-11-12(16-17-13(19)14(2,3)4)10-15(20-11)6-8-18(5)9-7-15/h11H,6-10H2,1-5H3,(H,17,19)
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Article
1.52E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288161
PNG
(Butyric acid N'-[2,8-dimethyl-1-oxa-8-aza-spiro[4....)
Show SMILES CCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:7.6|
Show InChI InChI=1S/C15H27N3O2/c1-5-6-14(19)18(4)16-13-11-15(20-12(13)2)7-9-17(3)10-8-15/h12H,5-11H2,1-4H3
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1.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288152
PNG
(CHEMBL418933 | Hexanoic acid [2,8-dimethyl-1-oxa-8...)
Show SMILES CCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:8.7|
Show InChI InChI=1S/C16H29N3O2/c1-4-5-6-7-15(20)18-17-14-12-16(21-13(14)2)8-10-19(3)11-9-16/h13H,4-12H2,1-3H3,(H,18,20)
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288157
PNG
(CHEMBL314421 | Heptanoic acid [2,8-dimethyl-1-oxa-...)
Show SMILES CCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:9.8|
Show InChI InChI=1S/C17H31N3O2/c1-4-5-6-7-8-16(21)19-18-15-13-17(22-14(15)2)9-11-20(3)12-10-17/h14H,4-13H2,1-3H3,(H,19,21)
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288169
PNG
(CHEMBL83410 | N'-[2,8-Dimethyl-1-oxa-8-aza-spiro[4...)
Show SMILES COC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4|
Show InChI InChI=1S/C12H21N3O3/c1-9-10(13-14-11(16)17-3)8-12(18-9)4-6-15(2)7-5-12/h9H,4-8H2,1-3H3,(H,14,16)
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50034640
PNG
(2,8-Dimethyl-1,3-dioxa-8-aza-spiro[4.5]decane | CH...)
Show SMILES CC1OCC2(CCN(C)CC2)O1
Show InChI InChI=1S/C9H17NO2/c1-8-11-7-9(12-8)3-5-10(2)6-4-9/h8H,3-7H2,1-2H3
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2.51E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50284962
PNG
((R)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m1/s1
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2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in ra...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288154
PNG
(CHEMBL85729 | Isobutyric acid [2,8-dimethyl-1-oxa-...)
Show SMILES CC(C)C(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5|
Show InChI InChI=1S/C14H25N3O2/c1-10(2)13(18)16-15-12-9-14(19-11(12)3)5-7-17(4)8-6-14/h10-11H,5-9H2,1-4H3,(H,16,18)
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2.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470771
PNG
(CHEMBL290501)
Show SMILES CC1CC(O)C2(CCN(C)CC2)O1
Show InChI InChI=1S/C10H19NO2/c1-8-7-9(12)10(13-8)3-5-11(2)6-4-10/h8-9,12H,3-7H2,1-2H3
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3.00E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288148
PNG
(CHEMBL85999 | Phenyl-acetic acid [2,8-dimethyl-1-o...)
Show SMILES CC1OC2(CC1=NNC(=O)Cc1ccccc1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C18H25N3O2/c1-14-16(13-18(23-14)8-10-21(2)11-9-18)19-20-17(22)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,20,22)
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288150
PNG
(CHEMBL85953 | Cyclohexyl-acetic acid [2,8-dimethyl...)
Show SMILES CC1OC2(CC1=NNC(=O)CC1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C18H31N3O2/c1-14-16(13-18(23-14)8-10-21(2)11-9-18)19-20-17(22)12-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H,20,22)
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3.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470769
PNG
(CHEMBL288465)
Show SMILES CC1CC(=O)C2(CCN(C)CC2)O1
Show InChI InChI=1S/C10H17NO2/c1-8-7-9(12)10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3
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3.30E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470772
PNG
(CHEMBL1794937)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCC2(C\C(CO2)=N/OC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C16H20N2O3/c1-18-9-7-16(8-10-18)11-14(12-20-16)17-21-15(19)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/b17-14+
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3.40E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288155
PNG
(4-Phenyl-butyric acid [2,8-dimethyl-1-oxa-8-aza-sp...)
Show SMILES CC1OC2(CC1=NNC(=O)CCCc1ccccc1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C20H29N3O2/c1-16-18(15-20(25-16)11-13-23(2)14-12-20)21-22-19(24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,16H,6,9-15H2,1-2H3,(H,22,24)
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3.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50284962
PNG
((R)-2,8-Dimethyl-1-oxa-8-aza-spiro[4.5]decan-3-one...)
Show SMILES C[C@H]1OC2(CC1=O)CCN(C)CC2
Show InChI InChI=1S/C10H17NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8H,3-7H2,1-2H3/t8-/m1/s1
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3.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement as...


Bioorg Med Chem Lett 5: 1813-1818 (1995)


Article DOI: 10.1016/0960-894X(95)00301-9
BindingDB Entry DOI: 10.7270/Q27M07WJ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288168
PNG
(CHEMBL84222 | Cyclohexanecarboxylic acid [2,8-dime...)
Show SMILES CC1OC2(CC1=NNC(=O)C1CCCCC1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C17H29N3O2/c1-13-15(12-17(22-13)8-10-20(2)11-9-17)18-19-16(21)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,19,21)
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3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470767
PNG
(CHEMBL1794938)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CCC(=O)O\N=C1/COC2(C1)CCN(C)CC2
Show InChI InChI=1S/C12H20N2O3/c1-3-11(15)17-13-10-8-12(16-9-10)4-6-14(2)7-5-12/h3-9H2,1-2H3/b13-10-
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3.81E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470764
PNG
(CHEMBL41524)
Show SMILES COC1CC2(CCN(C)CC2)OC1C
Show InChI InChI=1S/C11H21NO2/c1-9-10(13-3)8-11(14-9)4-6-12(2)7-5-11/h9-10H,4-8H2,1-3H3
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3.99E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288165
PNG
(CHEMBL432186 | Pentanoic acid [2,8-dimethyl-1-oxa-...)
Show SMILES CCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:7.6|
Show InChI InChI=1S/C15H27N3O2/c1-4-5-6-14(19)17-16-13-11-15(20-12(13)2)7-9-18(3)10-8-15/h12H,4-11H2,1-3H3,(H,17,19)
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4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470765
PNG
(CHEMBL1794939)
Show SMILES OC(=O)C(O)=O.OC(=O)\C=C/C(O)=O.CN1CCC2(C\C(CO2)=N\OC(C)=O)CC1
Show InChI InChI=1S/C11H18N2O3/c1-9(14)16-12-10-7-11(15-8-10)3-5-13(2)6-4-11/h3-8H2,1-2H3/b12-10-
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4.48E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288151
PNG
(Acetic acid N'-[2,8-dimethyl-1-oxa-8-aza-spiro[4.5...)
Show SMILES CC1OC2(CC1=NN(C)C(C)=O)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C13H23N3O2/c1-10-12(14-16(4)11(2)17)9-13(18-10)5-7-15(3)8-6-13/h10H,5-9H2,1-4H3
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6.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288164
PNG
(Butyric acid [2,8-dimethyl-1-oxa-8-aza-spiro[4.5]d...)
Show SMILES CCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5|
Show InChI InChI=1S/C14H25N3O2/c1-4-5-13(18)16-15-12-10-14(19-11(12)2)6-8-17(3)9-7-14/h11H,4-10H2,1-3H3,(H,16,18)
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6.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470774
PNG
(CHEMBL543292)
Show SMILES Cl.CC1CC(=O)C2(CCNCC2)O1
Show InChI InChI=1S/C9H15NO2.ClH/c1-7-6-8(11)9(12-7)2-4-10-5-3-9;/h7,10H,2-6H2,1H3;1H
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7.10E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288146
PNG
(CHEMBL84825 | Propionic acid [2,8-dimethyl-1-oxa-8...)
Show SMILES CCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4|
Show InChI InChI=1S/C13H23N3O2/c1-4-12(17)15-14-11-9-13(18-10(11)2)5-7-16(3)8-6-13/h10H,4-9H2,1-3H3,(H,15,17)
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7.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50288149
PNG
(Benzoic acid [2,8-dimethyl-1-oxa-8-aza-spiro[4.5]d...)
Show SMILES CC1OC2(CC1=NNC(=O)c1ccccc1)CCN(C)CC2 |w:6.7|
Show InChI InChI=1S/C17H23N3O2/c1-13-15(12-17(22-13)8-10-20(2)11-9-17)18-19-16(21)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,19,21)
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7.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace [3H]- pirenzepine from M1 receptor in rat hippocampal membranes


Bioorg Med Chem Lett 6: 2525-2530 (1996)


Article DOI: 10.1016/0960-894X(96)00471-4
BindingDB Entry DOI: 10.7270/Q2NK3F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470761
PNG
(CHEMBL39564)
Show SMILES CN1CCC2(CC(=O)CO2)CC1
Show InChI InChI=1S/C9H15NO2/c1-10-4-2-9(3-5-10)6-8(11)7-12-9/h2-7H2,1H3
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8.33E+4n/an/an/an/an/an/an/an/a



Fisons Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand.


J Med Chem 38: 1558-70 (1995)


Article DOI: 10.1021/jm00009a016
BindingDB Entry DOI: 10.7270/Q24B3420
More data for this
Ligand-Target Pair
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