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PubMed code 3336015

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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)
BDBM50226982
PNG
(CHEMBL553214)
Show SMILES [Cl-].O=C1CCCN1CC#CC[S+]1CCCC1
Show InChI InChI=1S/C12H18NOS/c14-12-6-5-8-13(12)7-1-2-9-15-10-3-4-11-15/h3-11H2/q+1
PDB
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PubMed
n/an/a 310n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50226980
PNG
(CHEMBL540395)
Show SMILES [Cl-].C[S+](C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16NOS/c1-13(2)9-4-3-7-11-8-5-6-10(11)12/h5-9H2,1-2H3/q+1
PDB
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PubMed
n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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MCE
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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50226979
PNG
(CHEMBL554629)
Show SMILES [Cl-].O=C1CCC(=O)N1CC#CC[S+]1CCCC1
Show InChI InChI=1S/C12H16NO2S/c14-11-5-6-12(15)13(11)7-1-2-8-16-9-3-4-10-16/h3-10H2/q+1
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PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50226981
PNG
(CHEMBL541927)
Show SMILES [Cl-].C[S+](C)CC#CCN1C(=O)CCC1=O
Show InChI InChI=1S/C10H14NO2S/c1-14(2)8-4-3-7-11-9(12)5-6-10(11)13/h5-8H2,1-2H3/q+1
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PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor in rat cerebral cortex


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Dissociation constant of the drug-receptor complex was measured in guinea pig urinary bladder


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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CHEMBL
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PubMed
n/an/an/an/a 110n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro muscarinic activity was measured on isolated guinea pig ileum


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
PDB
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CHEMBL
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PC sid
PDB
UniChem

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DrugBank
PubMed
n/an/an/an/a 620n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro muscarinic activity was measured on isolated guinea pig urinary bladder


J Med Chem 31: 164-8 (1988)


BindingDB Entry DOI: 10.7270/Q2833V7R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%