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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'vella-rountree' and Initial = 'l'   
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)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.520n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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1.40n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM81800
PNG
(CAS_57558-44-8 | NSC_42470 | Secoverine)
Show SMILES CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
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5.90n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM81800
PNG
(CAS_57558-44-8 | NSC_42470 | Secoverine)
Show SMILES CCN(CCCC(=O)C1CCCCC1)C(C)Cc1ccc(OC)cc1
Show InChI InChI=1S/C22H35NO2/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19/h12-15,18,20H,4-11,16-17H2,1-3H3
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7.80n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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9n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005854
PNG
(1-(4-Azetidin-1-yl-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES O=C1CCCN1CC#CCN1CCC1
Show InChI InChI=1S/C11H16N2O/c14-11-5-3-10-13(11)9-2-1-6-12-7-4-8-12/h3-10H2
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27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM81799
PNG
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)
Show SMILES O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
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47n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM81799
PNG
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)
Show SMILES O[Si](CCCN1CCCCC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
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60n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PDB

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84n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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196n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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214n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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410n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064176
PNG
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)
Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3
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600n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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614n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455987
PNG
(CHEMBL2115360)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
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636n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005851
PNG
(1-[4-(Ethyl-methyl-amino)-but-2-ynyl]-pyrrolidin-2...)
Show SMILES CCN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H18N2O/c1-3-12(2)8-4-5-9-13-10-6-7-11(13)14/h3,6-10H2,1-2H3
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813n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
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926n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M2 in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50018056
PNG
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)
Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
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1.20E+3n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 257: 1121-9 (1991)


BindingDB Entry DOI: 10.7270/Q2G73C6R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455986
PNG
(CHEMBL2115361)
Show SMILES CN1CCCC[C@@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005854
PNG
(1-(4-Azetidin-1-yl-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES O=C1CCCN1CC#CCN1CCC1
Show InChI InChI=1S/C11H16N2O/c14-11-5-3-10-13(11)9-2-1-6-12-7-4-8-12/h3-10H2
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2.25E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455988
PNG
(CHEMBL2115359)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCN1 |r|
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m0/s1
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2.46E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005851
PNG
(1-[4-(Ethyl-methyl-amino)-but-2-ynyl]-pyrrolidin-2...)
Show SMILES CCN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H18N2O/c1-3-12(2)8-4-5-9-13-10-6-7-11(13)14/h3,6-10H2,1-2H3
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2.69E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455987
PNG
(CHEMBL2115360)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCCN1 |r|
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m1/s1
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3.03E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455988
PNG
(CHEMBL2115359)
Show SMILES O=C1CCCN1CC#CC[C@H]1CCCN1 |r|
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m0/s1
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3.07E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455986
PNG
(CHEMBL2115361)
Show SMILES CN1CCCC[C@@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m1/s1
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3.66E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455982
PNG
(CHEMBL2114427)
Show SMILES CN1CCCC[C@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m0/s1
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5.38E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455985
PNG
(CHEMBL2115362)
Show SMILES CN1CCC[C@@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m0/s1
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5.46E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455983
PNG
(CHEMBL2114425)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m1/s1
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5.64E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455985
PNG
(CHEMBL2115362)
Show SMILES CN1CCC[C@@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m0/s1
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5.86E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455982
PNG
(CHEMBL2114427)
Show SMILES CN1CCCC[C@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C14H22N2O/c1-15-10-4-2-7-13(15)8-3-5-11-16-12-6-9-14(16)17/h13H,2,4,6-12H2,1H3/t13-/m0/s1
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7.06E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455984
PNG
(CHEMBL2114430)
Show SMILES CN1CCC[C@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m1/s1
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1.05E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455984
PNG
(CHEMBL2114430)
Show SMILES CN1CCC[C@H]1CC#CCN1CCCC1=O |r|
Show InChI InChI=1S/C13H20N2O/c1-14-9-4-7-12(14)6-2-3-10-15-11-5-8-13(15)16/h12H,4-11H2,1H3/t12-/m1/s1
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1.08E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50455981
PNG
(CHEMBL2114426)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M2 receptor in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
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1.59E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Muscarinic acetylcholine receptor M1 in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455981
PNG
(CHEMBL2114426)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCCN1 |r|
Show InChI InChI=1S/C13H20N2O/c16-13-8-5-11-15(13)10-4-2-7-12-6-1-3-9-14-12/h12,14H,1,3,5-11H2/t12-/m0/s1
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2.76E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50005855
PNG
(1-(4-Methylamino-but-2-ynyl)-pyrrolidin-2-one | CH...)
Show SMILES CNCC#CCN1CCCC1=O
Show InChI InChI=1S/C9H14N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,4-8H2,1H3
PDB

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3.81E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor M2 in rat brainstem


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50455983
PNG
(CHEMBL2114425)
Show SMILES O=C1CCCN1CC#CC[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C12H18N2O/c15-12-7-4-10-14(12)9-2-1-5-11-6-3-8-13-11/h11,13H,3-10H2/t11-/m1/s1
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4.05E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards M1 receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50005855
PNG
(1-(4-Methylamino-but-2-ynyl)-pyrrolidin-2-one | CH...)
Show SMILES CNCC#CCN1CCCC1=O
Show InChI InChI=1S/C9H14N2O/c1-10-6-2-3-7-11-8-4-5-9(11)12/h10H,4-8H2,1H3
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6.55E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards muscarinic acetylcholine receptor in rat cortex


J Med Chem 35: 1550-7 (1992)


BindingDB Entry DOI: 10.7270/Q2MK6BT7
More data for this
Ligand-Target Pair