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PubMed code 13678406

Compile data set for download or QSAR
Found 7 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 M2


(Homo sapiens (Human))
BDBM50411207
PNG
(CHEMBL216927 | CHEMBL553058)
Show SMILES COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |t:27|
Show InChI InChI=1S/C19H29N5O6S2/c1-24-5-3-4-15(14-24)16-17(21-31-20-16)29-12-10-27-8-6-26-7-9-28-11-13-30-19-18(25-2)22-32-23-19/h4H,3,5-14H2,1-2H3
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50107697
PNG
(1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33|
Show InChI InChI=1S/C24H36N6O5S2/c1-29-7-3-5-19(17-29)21-23(27-36-25-21)34-15-13-32-11-9-31-10-12-33-14-16-35-24-22(26-37-28-24)20-6-4-8-30(2)18-20/h5-6H,3-4,7-18H2,1-2H3
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PubMed
n/an/a 0.630n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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/a 13n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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PubMed
n/an/a 13n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M2 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50411207
PNG
(CHEMBL216927 | CHEMBL553058)
Show SMILES COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |t:27|
Show InChI InChI=1S/C19H29N5O6S2/c1-24-5-3-4-15(14-24)16-17(21-31-20-16)29-12-10-27-8-6-26-7-9-28-11-13-30-19-18(25-2)22-32-23-19/h4H,3,5-14H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells ; Not determined


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M4


(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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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%