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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 161.2
BDBM39342
Purchase
Wt: 167.2
BDBM85380
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Wt: 147.1
BDBM50004656
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Wt: 181.2
BDBM50005843
Wt: 181.2
BDBM50005844
Wt: 181.2
BDBM50005845
Wt: 181.2
BDBM50005847
Wt: 169.2
BDBM50005849
Wt: 179.2
BDBM50005363
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Wt: 174.2
BDBM50006243
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Wt: 175.2
BDBM50036181
Wt: 181.2
BDBM50036189
Wt: 177.2
BDBM50036191
Wt: 175.2
BDBM50036196
Wt: 179.2
BDBM50038226
Displayed 1 to 15 (of 146 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 370 hits in this display   
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


(RAT)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2 |TLB:4:6:12:10.9|
Show InChI InChI=1S/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.


J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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4n/an/an/an/an/an/an/an/a



Medical Research Division of American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex.


J Med Chem 36: 3533-41 (1994)


BindingDB Entry DOI: 10.7270/Q28916GB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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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4n/an/an/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Binding activity to the muscarinic acetylcholine receptor in rat cortex, assayed using [3H]CD as a radioligand.


J Med Chem 33: 3190-8 (1990)


BindingDB Entry DOI: 10.7270/Q2M32Z0K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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5n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by PDSP Ki Database




Mol Pharmacol 64: 865-75 (2003)


Article DOI: 10.1124/mol.64.4.865
BindingDB Entry DOI: 10.7270/Q2RX99PV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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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8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Mus musculus)
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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8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Ability of the compound to displace [3H]-oxotremorine ([3H]-OXO-M) from mouse cerebral cortex


J Med Chem 35: 3141-7 (1992)


BindingDB Entry DOI: 10.7270/Q200012X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Mus musculus (mouse))
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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8n/an/an/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.


J Med Chem 35: 1102-8 (1992)


BindingDB Entry DOI: 10.7270/Q28K79QR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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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9n/an/an/an/an/an/an/an/a



Astra Arcus USA

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor using [3H]-OXO-M as the radioligand.


J Med Chem 41: 4181-5 (1998)


Article DOI: 10.1021/jm980192x
BindingDB Entry DOI: 10.7270/Q2PV6P3B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro 100 nM cortex affinity to displace [3H]- -CD providing a measure of muscarinic m1 receptor agonist affinity


Bioorg Med Chem Lett 2: 815-820 (1992)


Article DOI: 10.1016/S0960-894X(00)80537-5
BindingDB Entry DOI: 10.7270/Q23X8734
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes


J Med Chem 34: 3164-71 (1991)


BindingDB Entry DOI: 10.7270/Q2V988Q7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]- Oxo-M binding to muscarinic acetylcholine receptor of rat heart membrane preparation.


J Med Chem 35: 2184-91 (1992)


BindingDB Entry DOI: 10.7270/Q2B27T74
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Mus musculus)
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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20n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-...


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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23n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
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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24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
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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24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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25n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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29n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
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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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
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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31n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Mus musculus)
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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37n/an/an/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the presence of 300 uM GTP-gamma-S


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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38n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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56n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Rattus norvegicus (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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66.4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 619-26 (2005)


Article DOI: 10.1124/jpet.104.075069
BindingDB Entry DOI: 10.7270/Q2BK19XS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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68.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 289-97 (1996)


BindingDB Entry DOI: 10.7270/Q2GM85T1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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72n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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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73n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




Mol Pharmacol 57: 642-9 (2000)


Article DOI: 10.1124/mol.57.3.642
BindingDB Entry DOI: 10.7270/Q21C1VF8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
PDB

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75n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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75n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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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100n/an/an/an/an/an/an/an/a



R. J. Reynolds Tobacco Company

Curated by PDSP Ki Database




Mol Pharmacol 29: 448-54 (1986)


BindingDB Entry DOI: 10.7270/Q269722Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
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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150n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Promotilin


(RABBIT)
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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158n/an/an/an/an/an/an/an/a



University of Melbourne

Curated by PDSP Ki Database




Clin Exp Pharmacol Physiol 26: 242-5 (1999)


Article DOI: 10.1046/j.1440-1681.1999.03022.x
BindingDB Entry DOI: 10.7270/Q2VX0F2Z
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
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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170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM39342
PNG
(2-aminocarbonyloxypropyl(trimethyl)azanium;chlorid...)
Show SMILES CC(C[N+](C)(C)C)OC(N)=O
Show InChI InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1
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190n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 256: 689-94 (1991)


BindingDB Entry DOI: 10.7270/Q25T3J06
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (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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210n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand


Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2


(Rattus norvegicus (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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260n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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300n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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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325n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 159-66 (1994)


BindingDB Entry DOI: 10.7270/Q22Z141C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
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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331n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 279: 1335-44 (1996)


BindingDB Entry DOI: 10.7270/Q2XG9PPG
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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390n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50036196
PNG
(3-Furan-2-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMB...)
Show SMILES C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|
Show InChI InChI=1S/C11H13NO/c1-2-11(13-7-1)10-8-12-5-3-9(10)4-6-12/h1-2,7-9H,3-6H2
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390n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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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428n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




Mol Pharmacol 54: 322-33 (1998)


Article DOI: 10.1124/mol.54.2.322
BindingDB Entry DOI: 10.7270/Q2ZW1JGJ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor


(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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460n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 98-107 (2004)


Article DOI: 10.1124/jpet.104.066787
BindingDB Entry DOI: 10.7270/Q2XG9PQX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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490n/an/an/an/an/an/an/an/a



Istituto Chimico-Farmaceutico dell'Università

Curated by ChEMBL


Assay Description
Binding affinity of the compound against muscarinic acetylcholine receptor M3 of rat sabmandibular glands


J Med Chem 35: 1915-20 (1992)


BindingDB Entry DOI: 10.7270/Q2ZS2VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50006243
PNG
(((2S,4R,5S)-4-Hydroxy-5-methyl-tetrahydro-furan-2-...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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490n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 16: 3049-58 (2008)


Article DOI: 10.1016/j.bmc.2007.12.036
BindingDB Entry DOI: 10.7270/Q2MS3WJ6
More data for this
Ligand-Target Pair
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