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PubMed code 1613746

Compile data set for download or QSAR
Found 20 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


(RAT)
BDBM50453183
PNG
(CHEMBL2114060)
Show SMILES CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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PubMed
0.423n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453183
PNG
(CHEMBL2114060)
Show SMILES CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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0.522n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453188
PNG
(CHEMBL2115124)
Show SMILES CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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0.533n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


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


(RAT)
BDBM50453188
PNG
(CHEMBL2115124)
Show SMILES CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-19-13-16(20)15-23(19)2/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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0.876n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


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


(RAT)
BDBM50453182
PNG
(CHEMBL2114061)
Show SMILES CN1CC2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453182
PNG
(CHEMBL2114061)
Show SMILES CN1CC2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m0/s1
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4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


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


(RAT)
BDBM50453186
PNG
(CHEMBL2115125)
Show SMILES CN1CC2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453186
PNG
(CHEMBL2115125)
Show SMILES CN1CC2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2
Show InChI InChI=1S/C22H25NO2/c1-22(17-9-5-3-6-10-17,18-11-7-4-8-12-18)21(24)25-20-14-16-13-19(20)23(2)15-16/h3-12,16,19-20H,13-15H2,1-2H3/t16?,19?,20-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


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


(RAT)
BDBM50453187
PNG
(CHEMBL2115123)
Show SMILES CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-13-7-14(15)16(10-13)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13?,14?,15-/m1/s1
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2.26E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


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


(RAT)
BDBM50453190
PNG
(CHEMBL2114059)
Show SMILES CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-13-7-14(15)16(10-13)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13?,14?,15-/m0/s1
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7.01E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453184
PNG
(CHEMBL2115122)
Show SMILES CN1CC2CC1C[C@@H]2OC(C)=O
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-8-3-7(9)5-10(8)2/h7-9H,3-5H2,1-2H3/t7?,8?,9-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


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


(RAT)
BDBM50453184
PNG
(CHEMBL2115122)
Show SMILES CN1CC2CC1C[C@@H]2OC(C)=O
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-8-3-7(9)5-10(8)2/h7-9H,3-5H2,1-2H3/t7?,8?,9-/m0/s1
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1.75E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453190
PNG
(CHEMBL2114059)
Show SMILES CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-13-7-14(15)16(10-13)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13?,14?,15-/m0/s1
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1.88E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]QNB binding to m3 receptor transfected with CHO cell


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


(RAT)
BDBM50006546
PNG
(Acetic acid 2-benzyl-2-aza-bicyclo[2.2.1]hept-5-yl...)
Show SMILES CC(=O)OC1CC2CC1CN2Cc1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-14-7-13(15)10-16(14)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3
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1.89E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


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


(RAT)
BDBM50006549
PNG
(Acetic acid 2-methyl-2-aza-bicyclo[2.2.1]hept-6-yl...)
Show SMILES CN1CC2CC(OC(C)=O)C1C2
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-7-3-8(9)10(2)5-7/h7-9H,3-5H2,1-2H3
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2.16E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


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


(RAT)
BDBM50453189
PNG
(CHEMBL2114058)
Show SMILES CN1CC2CC1C[C@H]2OC(C)=O
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-8-3-7(9)5-10(8)2/h7-9H,3-5H2,1-2H3/t7?,8?,9-/m1/s1
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2.19E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M1 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50006546
PNG
(Acetic acid 2-benzyl-2-aza-bicyclo[2.2.1]hept-5-yl...)
Show SMILES CC(=O)OC1CC2CC1CN2Cc1ccccc1
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-14-7-13(15)10-16(14)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3
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2.69E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453189
PNG
(CHEMBL2114058)
Show SMILES CN1CC2CC1C[C@H]2OC(C)=O
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-8-3-7(9)5-10(8)2/h7-9H,3-5H2,1-2H3/t7?,8?,9-/m1/s1
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2.77E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50006549
PNG
(Acetic acid 2-methyl-2-aza-bicyclo[2.2.1]hept-6-yl...)
Show SMILES CN1CC2CC(OC(C)=O)C1C2
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-4-7-3-8(9)10(2)5-7/h7-9H,3-5H2,1-2H3
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2.80E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50453187
PNG
(CHEMBL2115123)
Show SMILES CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2
Show InChI InChI=1S/C15H19NO2/c1-11(17)18-15-8-13-7-14(15)16(10-13)9-12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/t13?,14?,15-/m1/s1
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4.76E+4n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-QNB binding to Muscarinic acetylcholine receptor M3 transfected with CHO cell


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