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PubMed code 1578479

Compile data set for download or QSAR
Found 24 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


(Homo sapiens (Human))
BDBM50005850
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005844
PNG
((2S,5'R)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005845
PNG
((2S,5'S)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005846
PNG
(2',2'-dimethylspiro[4-azabicyclo[2.2.2]octane-2,4'...)
Show SMILES CC1(C)OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO2/c1-10(2)13-8-11(14-10)7-12-5-3-9(11)4-6-12/h9H,3-8H2,1-2H3
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9.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005850
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m0/s1
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9.70E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005850
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radiol...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005847
PNG
((2R,5'S)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005847
PNG
((2R,5'S)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005849
PNG
(CHEMBL290715 | spiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H15NO2/c1-3-10-4-2-8(1)9(5-10)6-11-7-12-9/h8H,1-7H2
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1.90E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005845
PNG
((2S,5'S)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005844
PNG
((2S,5'R)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005843
PNG
((2R,5'R)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M1 in guinea pig cerebral cortex using (-)-[3H]-QNB as radi...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
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>2.10E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005843
PNG
((2R,5'R)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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>2.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005848
PNG
((2'R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C[C@@H]1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C10H17NO2/c1-8-12-7-10(13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10?/m1/s1
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2.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radio...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005845
PNG
((2S,5'S)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radiol...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005846
PNG
(2',2'-dimethylspiro[4-azabicyclo[2.2.2]octane-2,4'...)
Show SMILES CC1(C)OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO2/c1-10(2)13-8-11(14-10)7-12-5-3-9(11)4-6-12/h9H,3-8H2,1-2H3
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3.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005844
PNG
((2S,5'R)-5'-methyldihydrospiro[4-azabicyclo[2.2.2]...)
Show SMILES C[C@@H]1CC2(CO1)CN1CCC2CC1
Show InChI InChI=1S/C11H19NO/c1-9-6-11(8-13-9)7-12-4-2-10(11)3-5-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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3.30E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radio...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005847
PNG
((2R,5'S)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m0/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radio...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005846
PNG
(2',2'-dimethylspiro[4-azabicyclo[2.2.2]octane-2,4'...)
Show SMILES CC1(C)OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO2/c1-10(2)13-8-11(14-10)7-12-5-3-9(11)4-6-12/h9H,3-8H2,1-2H3
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3.90E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 n guinea pig parotid gland using (-)-[3H]-QNB as radioli...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005849
PNG
(CHEMBL290715 | spiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H15NO2/c1-3-10-4-2-8(1)9(5-10)6-11-7-12-9/h8H,1-7H2
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5.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M2 in guinea pig heart using (-)-[3H]-QNB as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005843
PNG
((2R,5'R)-5'-methyldihydro-3'H-spiro[4-azabicyclo[2...)
Show SMILES C[C@@H]1CCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C11H19NO/c1-9-2-5-11(13-9)8-12-6-3-10(11)4-7-12/h9-10H,2-8H2,1H3/t9-,11?/m1/s1
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7.80E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radiol...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005849
PNG
(CHEMBL290715 | spiro[4-azabicyclo[2.2.2]octane-2,4...)
Show SMILES C1OCC2(CN3CCC2CC3)O1
Show InChI InChI=1S/C9H15NO2/c1-3-10-4-2-8(1)9(5-10)6-11-7-12-9/h8H,1-7H2
MMDB

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8.60E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against muscarinic acetylcholine receptor M3 in guinea pig parotid gland using (-)-[3H]-QNB as radiol...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%