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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50003426   
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)
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)
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)
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 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/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/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/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/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/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/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/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/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/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/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
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50470768
PNG
(CHEMBL39486)
Show SMILES CN1CCC2(CC(=C)CO2)CC1
Show InChI InChI=1S/C10H17NO/c1-9-7-10(12-8-9)3-5-11(2)6-4-10/h1,3-8H2,2H3
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8.74E+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)
BDBM50470762
PNG
(CHEMBL288717)
Show SMILES CN1CCC2(CC(CO2)OC(C)=O)CC1
Show InChI InChI=1S/C11H19NO3/c1-9(13)15-10-7-11(14-8-10)3-5-12(2)6-4-11/h10H,3-8H2,1-2H3
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9.87E+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)
BDBM50470763
PNG
(CHEMBL442154)
Show SMILES CC1OC2(CC1O)CCN(C)CC2
Show InChI InChI=1S/C10H19NO2/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10/h8-9,12H,3-7H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.41E+5n/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)
BDBM50470760
PNG
(CHEMBL555094)
Show SMILES Cl.CC1OC2(CC1O)CCN(C)CC2
Show InChI InChI=1S/C10H19NO2.ClH/c1-8-9(12)7-10(13-8)3-5-11(2)6-4-10;/h8-9,12H,3-7H2,1-2H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30E+5n/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)
BDBM50470773
PNG
(CHEMBL553322)
Show SMILES Cl.CN1CCC2(CC(O)CO2)CC1
Show InChI InChI=1S/C9H17NO2.ClH/c1-10-4-2-9(3-5-10)6-8(11)7-12-9;/h8,11H,2-7H2,1H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.34E+5n/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