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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50028873   
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


(RAT)
BDBM50008064
PNG
((S)-3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-ox...)
Show SMILES CCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C10H15N3O2/c1-3-13-9(6-15-10(13)14)4-8-5-11-7-12(8)2/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace muscarinic agonist [3H]quinuclidinyl benzilate in rat cortical tissue (RCMD binding assay), at 0.1...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
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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n/an/a 360n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 recept...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(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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n/an/a 860n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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n/an/a 4.43E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 recept...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50008064
PNG
((S)-3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-ox...)
Show SMILES CCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C10H15N3O2/c1-3-13-9(6-15-10(13)14)4-8-5-11-7-12(8)2/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace muscarinic antagonist [3H]cis-methyldioxolane in rat cortical tissue (RQNB binding assay), at 1.0 ...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 9.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 recept...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50008064
PNG
((S)-3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-ox...)
Show SMILES CCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C10H15N3O2/c1-3-13-9(6-15-10(13)14)4-8-5-11-7-12(8)2/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
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n/an/a 1.27E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 recept...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
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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n/an/a 1.89E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic receptor M2 and M3


(RAT)
BDBM50008064
PNG
((S)-3-Ethyl-4-(3-methyl-3H-imidazol-4-ylmethyl)-ox...)
Show SMILES CCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C10H15N3O2/c1-3-13-9(6-15-10(13)14)4-8-5-11-7-12(8)2/h5,7,9H,3-4,6H2,1-2H3/t9-/m0/s1
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n/an/a 3.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in rat heart homogenate containing the pharmacologic M2 receptor (M2-QNB heart)


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
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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n/an/a 4.44E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of the muscarinic QNB in a genetically transformed rat cell line (m1c2) transfected with cloned m1 recept...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50211667
PNG
(CHEMBL37008)
Show SMILES CCCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H17N3O2/c1-3-4-14-10(7-16-11(14)15)5-9-6-12-8-13(9)2/h6,8,10H,3-5,7H2,1-2H3/t10-/m0/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace muscarinic agonist [3H]quinuclidinyl benzilate in rat cortical tissue (RCMD binding assay), at 0.1...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50211667
PNG
(CHEMBL37008)
Show SMILES CCCN1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H17N3O2/c1-3-4-14-10(7-16-11(14)15)5-9-6-12-8-13(9)2/h6,8,10H,3-5,7H2,1-2H3/t10-/m0/s1
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n/an/a 3.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace muscarinic antagonist [3H]cis-methyldioxolane in rat cortical tissue (RQNB binding assay), at 1.0 ...


Bioorg Med Chem Lett 1: 147-150 (1991)


Article DOI: 10.1016/S0960-894X(01)80787-3
BindingDB Entry DOI: 10.7270/Q2513Z3K
More data for this
Ligand-Target Pair