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Compile Data Set for Download or QSAR

Found 195 hits with Last Name = 'pavia' and Initial = 'mr'   
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)
BDBM50280565
PNG
(5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol...)
Show SMILES Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|
Show InChI InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065213
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-prop-2-ynyl-oxi...)
Show SMILES C#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C9H12N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h1,8H,3-7H2/b10-9+
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n/an/a 3.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280560
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-pent-2-ynyl-oxi...)
Show SMILES CCC#CCO\N=C1/CN2CCC1C2 |THB:6:7:13:11.10|
Show InChI InChI=1S/C11H16N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h10H,2,5-9H2,1H3/b12-11+
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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280567
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-but-2-ynyl-oxim...)
Show SMILES CC#CCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H14N2O/c1-2-3-6-13-11-10-8-12-5-4-9(10)7-12/h9H,4-8H2,1H3/b11-10+
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50009300
PNG
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES CN(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
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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n/an/a 6.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065210
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-nona-2,5,8-triy...)
Show SMILES C#CCC#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280559
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-ethyl-oxime | C...)
Show SMILES CCO\N=C1/CN2CCC1C2 |THB:3:4:10:8.7|
Show InChI InChI=1S/C8H14N2O/c1-2-11-9-8-6-10-4-3-7(8)5-10/h7H,2-6H2,1H3/b9-8+
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065215
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-methyl-oxime | ...)
Show SMILES CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C7H12N2O/c1-10-8-7-5-9-3-2-6(7)4-9/h6H,2-5H2,1H3/b8-7+
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50280565
PNG
(5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol...)
Show SMILES Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|
Show InChI InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M2 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280524
PNG
(2-Methyl-6-pyrrolidin-1-yl-hex-4-ynal oxime | CHEM...)
Show SMILES CC(CN=O)CC#CCN1CCCC1
Show InChI InChI=1S/C11H18N2O/c1-11(10-12-14)6-2-3-7-13-8-4-5-9-13/h11H,4-10H2,1H3
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065205
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hexa-2,5-diynyl...)
Show SMILES C#CCC#CCO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C12H14N2O/c1-2-3-4-5-8-15-13-12-10-14-7-6-11(12)9-14/h1,11H,3,6-10H2/b13-12+
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50009291
PNG
(CHEMBL75358 | N-(4-Dimethylamino-but-2-ynyl)-N-met...)
Show SMILES CN(C)CC#CCN(C)C(C)=O
Show InChI InChI=1S/C9H16N2O/c1-9(12)11(4)8-6-5-7-10(2)3/h7-8H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280522
PNG
(6-Dimethylamino-2-methyl-hex-4-ynal oxime | CHEMBL...)
Show SMILES CC(CN=O)CC#CCN(C)C
Show InChI InChI=1S/C9H16N2O/c1-9(8-10-12)6-4-5-7-11(2)3/h9H,6-8H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280573
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hex-5-en-2-ynyl...)
Show SMILES C=CCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H16N2O/c1-2-3-4-5-8-15-13-12-10-14-7-6-11(12)9-14/h2,11H,1,3,6-10H2/b13-12+
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n/an/a 32n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280561
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(1-methyl-prop-...)
Show SMILES CC(O\N=C1/CN2CCC1C2)C#C |THB:3:4:10:8.7|
Show InChI InChI=1S/C10H14N2O/c1-3-8(2)13-11-10-7-12-5-4-9(10)6-12/h1,8-9H,4-7H2,2H3/b11-10+
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065209
PNG
((3Z)-1-azabicyclo[2.2.1]heptan-3-oneO-[(2E)-pent-2...)
Show SMILES C#C\C=C\CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280562
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hepta-2,5-diyny...)
Show SMILES CC#CCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|
Show InChI InChI=1S/C13H16N2O/c1-2-3-4-5-6-9-16-14-13-11-15-8-7-12(13)10-15/h12H,4,7-11H2,1H3/b14-13+
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n/an/a 39n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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/M2/M3/M4/M5


(RAT)
BDBM50280575
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hept-2-ynyl-oxi...)
Show SMILES CCCCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|
Show InChI InChI=1S/C13H20N2O/c1-2-3-4-5-6-9-16-14-13-11-15-8-7-12(13)10-15/h12H,2-4,7-11H2,1H3/b14-13+
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280570
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-isopropyl-oxime...)
Show SMILES CC(C)O\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|
Show InChI InChI=1S/C9H16N2O/c1-7(2)12-10-9-6-11-4-3-8(9)5-11/h7-8H,3-6H2,1-2H3/b10-9+
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50065227
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-phenyl-prop-...)
Show SMILES C(O\N=C1/CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C15H16N2O/c1-2-5-13(6-3-1)7-4-10-18-16-15-12-17-9-8-14(15)11-17/h1-3,5-6,14H,8-12H2/b16-15+
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n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280566
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-hex-2-ynyl-oxim...)
Show SMILES CCCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C12H18N2O/c1-2-3-4-5-8-15-13-12-10-14-7-6-11(12)9-14/h11H,2-3,6-10H2,1H3/b13-12+
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n/an/a 48n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280563
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(4-methoxy-but-...)
Show SMILES COCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|
Show InChI InChI=1S/C11H16N2O2/c1-14-6-2-3-7-15-12-11-9-13-5-4-10(11)8-13/h10H,4-9H2,1H3/b12-11+
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280523
PNG
(3-Methyl-7-pyrrolidin-1-yl-hept-5-yn-2-one | CHEMB...)
Show SMILES CC(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C12H19NO/c1-11(12(2)14)7-3-4-8-13-9-5-6-10-13/h11H,5-10H2,1-2H3
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n/an/a 59n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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n/an/a 64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280529
PNG
(7-Dimethylamino-hept-5-yn-2-one | CHEMBL166736)
Show SMILES CN(C)CC#CCCC(C)=O
Show InChI InChI=1S/C9H15NO/c1-9(11)7-5-4-6-8-10(2)3/h5,7-8H2,1-3H3
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280568
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-but-3-ynyl-oxim...)
Show SMILES C#CCCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H14N2O/c1-2-3-6-13-11-10-8-12-5-4-9(10)7-12/h1,9H,3-8H2/b11-10+
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n/an/a 83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280569
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-cyclobutyl-oxim...)
Show SMILES C1CC(C1)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H16N2O/c1-2-9(3-1)13-11-10-7-12-5-4-8(10)6-12/h8-9H,1-7H2/b11-10+
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n/an/a 88n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280574
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-tert-butyl-oxim...)
Show SMILES CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|
Show InChI InChI=1S/C10H18N2O/c1-10(2,3)13-11-9-7-12-5-4-8(9)6-12/h8H,4-7H2,1-3H3/b11-9+
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n/an/a 91n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212580
PNG
(CHEMBL170903)
Show SMILES O\N=C1/CN2CCC1C2 |THB:1:2:8:6.5|
Show InChI InChI=1S/C6H10N2O/c9-7-6-4-8-2-1-5(6)3-8/h5,9H,1-4H2/b7-6+
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n/an/a>100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to label agonist sites (RCMD) in rat neocortex


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212575
PNG
(CHEMBL165985)
Show SMILES CC(CC#CCN(C)C)C(C)=O
Show InChI InChI=1S/C10H17NO/c1-9(10(2)12)7-5-6-8-11(3)4/h9H,7-8H2,1-4H3
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n/an/a 101n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212581
PNG
(CHEMBL167015)
Show SMILES C#CCCCO\N=C1/CN2CCC1C2 |THB:6:7:13:11.10|
Show InChI InChI=1S/C11H16N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,10H,3-9H2/b12-11+
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n/an/a 111n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50280572
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-propyl-oxime | ...)
Show SMILES CCCO\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|
Show InChI InChI=1S/C9H16N2O/c1-2-5-12-10-9-7-11-4-3-8(9)6-11/h8H,2-7H2,1H3/b10-9+
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for HMPA (human muscarinic inositol phosphate accumulation) activity measured in CHO cells expressing Muscarinic acetylcholin...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212577
PNG
(CHEMBL168032)
Show SMILES CN(C)CC#CCC\C(C)=N\O
Show InChI InChI=1S/C9H16N2O/c1-9(10-12)7-5-4-6-8-11(2)3/h12H,5,7-8H2,1-3H3/b10-9+
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n/an/a 139n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212578
PNG
(CHEMBL167419)
Show SMILES CC(=O)CCC#CCN1CCCC1
Show InChI InChI=1S/C11H17NO/c1-11(13)7-3-2-4-8-12-9-5-6-10-12/h3,5-10H2,1H3
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n/an/a 214n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065209
PNG
((3Z)-1-azabicyclo[2.2.1]heptan-3-oneO-[(2E)-pent-2...)
Show SMILES C#C\C=C\CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+
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n/an/a 216n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M1


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50065224
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-methyl-but-2...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]\[#7]=[#6]-1/[#6]-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-2
Show InChI InChI=1S/C11H18N2O/c1-9(2)4-6-14-12-11-8-13-5-3-10(11)7-13/h4,10H,3,5-8H2,1-2H3/b12-11+
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n/an/a 216n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of compound labeled by [3H]-QNB in CHO cells selectively expressing human Muscarinic acetylcholine receptor M1


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
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 acetylcholine receptor M1


(Homo sapiens (Human))
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 364n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50212576
PNG
(CHEMBL167689)
Show SMILES C\C(CCC#CCN1CCCC1)=N/O
Show InChI InChI=1S/C11H18N2O/c1-11(12-14)7-3-2-4-8-13-9-5-6-10-13/h14H,3,5-10H2,1H3/b12-11+
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n/an/a 373n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.1 nM [3H]cis-methyldioxolane binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50280565
PNG
(5-(1-Aza-bicyclo[2.2.1]hept-3-yl)-[1,2,4]oxadiazol...)
Show SMILES Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|
Show InChI InChI=1S/C8H12N4O/c9-8-10-7(13-11-8)6-4-12-2-1-5(6)3-12/h5-6H,1-4H2,(H2,9,11)
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H]-quinuclidinyl benzilate to label antagonist site (RQNB) in CHO cell...


Bioorg Med Chem Lett 2: 821-826 (1992)


Article DOI: 10.1016/S0960-894X(00)80538-7
BindingDB Entry DOI: 10.7270/Q2PG1RNN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(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 407n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 0.03 nM [3H]quinuclidinyl benzylate binding to rat neocortex muscarinic receptor


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065209
PNG
((3Z)-1-azabicyclo[2.2.1]heptan-3-oneO-[(2E)-pent-2...)
Show SMILES C#C\C=C\CO\N=C1/CN2CCC1C2
Show InChI InChI=1S/C11H14N2O/c1-2-3-4-7-14-12-11-9-13-6-5-10(11)8-13/h1,3-4,10H,5-9H2/b4-3+,12-11+
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n/an/a 519n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-QNB to CHO cells expressing human Muscarinic acetylcholine receptor M2


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50065224
PNG
(1-Aza-bicyclo[2.2.1]heptan-3-one O-(3-methyl-but-2...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]\[#7]=[#6]-1/[#6]-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-2
Show InChI InChI=1S/C11H18N2O/c1-9(2)4-6-14-12-11-8-13-5-3-10(11)7-13/h4,10H,3,5-8H2,1-2H3/b12-11+
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n/an/a 519n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of compound labeled by [3H]-QNB in CHO cells selectively expressing human Muscarinic acetylcholine receptor M2


J Med Chem 41: 2524-36 (1998)


Article DOI: 10.1021/jm960683m
BindingDB Entry DOI: 10.7270/Q2VD6XKK
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
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n/an/a 858n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB from Muscarinic acetylcholine receptor M2 from rat heart homogenates


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
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
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Article
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


(Homo sapiens (Human))
BDBM50280524
PNG
(2-Methyl-6-pyrrolidin-1-yl-hex-4-ynal oxime | CHEM...)
Show SMILES CC(CN=O)CC#CCN1CCCC1
Show InChI InChI=1S/C11H18N2O/c1-11(10-12-14)6-2-3-7-13-8-4-5-9-13/h11H,4-10H2,1H3
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n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-QNB in genetically transformed mouse cell line (m1C2) transfected with Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 2: 803-808 (1992)


Article DOI: 10.1016/S0960-894X(00)80535-1
BindingDB Entry DOI: 10.7270/Q2Z0382N
More data for this
Ligand-Target Pair
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