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BDBM50064612 6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane::Acetic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-6-yl ester::CHEMBL294273

SMILES: CN1C2CC(OC(C)=O)C1CCC2

InChI Key: InChIKey=SEGNDTHRZAYKPQ-UHFFFAOYSA-N

Data: 21 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50064612   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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900n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Co...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.60E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
PDB

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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.75E+3n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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4.40E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to Muscarinic acetylcholine receptor M4 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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8.30E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M3 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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1.50E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M3 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.80E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]quinuclidinyl benzilate (antagonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes,


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.80E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
The compound was evaluated for inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical ...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.80E+5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
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2.82E+5n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50064612
PNG
(6-acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane |...)
Show SMILES CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|
Show InChI InChI=1S/C10H17NO2/c1-7(12)13-10-6-8-4-3-5-9(10)11(8)2/h8-10H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.07E+13n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle


Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair