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PubMed code 2153827

Compile data set for download or QSAR
Found 12 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


(Homo sapiens (Human))
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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PubMed
330n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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580n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50368047
PNG
(CHEMBL1202134)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCCN
Show InChI InChI=1S/C17H31N3O/c1-19(13-7-8-14-20-15-9-10-16-20)17(21)11-5-3-2-4-6-12-18/h2-6,9-16,18H2,1H3
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700n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50368047
PNG
(CHEMBL1202134)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCCN
Show InChI InChI=1S/C17H31N3O/c1-19(13-7-8-14-20-15-9-10-16-20)17(21)11-5-3-2-4-6-12-18/h2-6,9-16,18H2,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50368049
PNG
(CHEMBL1202052)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
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1.90E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50368046
PNG
(CHEMBL1202131)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCN
Show InChI InChI=1S/C16H29N3O/c1-18(16(20)10-4-2-3-5-11-17)12-6-7-13-19-14-8-9-15-19/h2-5,8-15,17H2,1H3
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3.10E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50368048
PNG
(CHEMBL1202048)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H37N3O3/c1-21(2,3)27-20(26)22-14-8-6-5-7-13-19(25)23(4)15-9-10-16-24-17-11-12-18-24/h5-8,11-18H2,1-4H3,(H,22,26)
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3.20E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50009300
PNG
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES CN(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
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4.50E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor binding affinity was determined using [3H]NMS for NG108-15 neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50368049
PNG
(CHEMBL1202052)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H39N3O3/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25/h5-9,12-19H2,1-4H3,(H,23,27)
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4.90E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50009300
PNG
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES CN(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
PDB
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4.96E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50368046
PNG
(CHEMBL1202131)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCN
Show InChI InChI=1S/C16H29N3O/c1-18(16(20)10-4-2-3-5-11-17)12-6-7-13-19-14-8-9-15-19/h2-5,8-15,17H2,1H3
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PubMed
6.70E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50368048
PNG
(CHEMBL1202048)
Show SMILES CN(CC#CCN1CCCC1)C(=O)CCCCCCNC(=O)OC(C)(C)C
Show InChI InChI=1S/C21H37N3O3/c1-21(2,3)27-20(26)22-14-8-6-5-7-13-19(25)23(4)15-9-10-16-24-17-11-12-18-24/h5-8,11-18H2,1-4H3,(H,22,26)
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PubMed
1.09E+4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Binding affinity was determined using [3H]-NMS for Muscarinic acetylcholine receptor in SK-N-SH neuroblastoma cells


J Med Chem 33: 741-8 (1990)


BindingDB Entry DOI: 10.7270/Q2NV9JTX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%