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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'snyder' and Initial = 'se'   
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)
BDBM50473051
PNG
(CHEMBL142136)
Show SMILES OC(C(=O)OC1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27NO3/c28-25(26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23)30-24-16-18-27(19-17-24)20-21-10-4-1-5-11-21/h1-15,24,29H,16-20H2
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0.0500n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50128836
PNG
(CHEMBL143228)
Show SMILES CN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
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0.0700n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473042
PNG
(CHEMBL141269)
Show SMILES OC(C(=O)OC1CCN(Cc2ccc(F)cc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26FNO3/c27-23-13-11-20(12-14-23)19-28-17-15-24(16-18-28)31-25(29)26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24,30H,15-19H2
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0.160n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50004822
PNG
((R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine...)
Show SMILES Oc1cc2CCNC[C@H](c3ccccc3)c2cc1O
Show InChI InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473044
PNG
(CHEMBL343764)
Show SMILES CCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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0.410n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473039
PNG
(CHEMBL423551)
Show SMILES OC(C(=O)OC1CCCNC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-12-7-13-20-14-17)19(22,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,17,20,22H,7,12-14H2
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0.480n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473050
PNG
(CHEMBL342839)
Show SMILES CCN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-2-21-14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,23H,2,13-15H2,1H3
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0.660n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473045
PNG
(CHEMBL142084)
Show SMILES CN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3
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0.720n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473047
PNG
(CHEMBL139948)
Show SMILES CN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3
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1.10n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473046
PNG
(CHEMBL342669)
Show SMILES CCN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,2,9,14-16H2,1H3
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1.5n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473053
PNG
(CHEMBL141559)
Show SMILES OC(C(=O)OC1CCN(CCF)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-13-16-23-14-11-19(12-15-23)26-20(24)21(25,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,25H,11-16H2
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1.80n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473067
PNG
(CHEMBL343290)
Show SMILES CCCN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-9-14-20(17-23)26-21(24)22(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20,25H,2,9,14-17H2,1H3
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1.90n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473065
PNG
(CHEMBL139610)
Show SMILES OC(C(=O)OC1CCNC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19NO3/c20-17(22-16-11-12-19-13-16)18(21,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19,21H,11-13H2
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2.30n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005257
PNG
((+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethy...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1Br
Show InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473064
PNG
(CHEMBL140277)
Show SMILES CC(CF)N1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26FNO3/c1-17(16-23)24-14-12-20(13-15-24)27-21(25)22(26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,26H,12-16H2,1H3
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2.60n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473066
PNG
(CHEMBL141842)
Show SMILES OC(C(=O)OC1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29NO3/c29-26(27(30,23-12-6-2-7-13-23)24-14-8-3-9-15-24)31-25-17-20-28(21-18-25)19-16-22-10-4-1-5-11-22/h1-15,25,30H,16-21H2
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2.70n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228820
PNG
(CHEMBL94982)
Show SMILES COc1cc(Br)c2OCCc2c1CC(C)N
Show InChI InChI=1S/C12H16BrNO2/c1-7(14)5-9-8-3-4-16-12(8)10(13)6-11(9)15-2/h6-7H,3-5,14H2,1-2H3
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3.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473059
PNG
(CHEMBL336052)
Show SMILES CC(CF)N1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26FNO3/c1-17(15-23)24-14-8-13-20(16-24)27-21(25)22(26,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20,26H,8,13-16H2,1H3
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3.90n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473040
PNG
(CHEMBL341731)
Show SMILES CC(CF)N1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24FNO3/c1-16(14-22)23-13-12-19(15-23)26-20(24)21(25,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19,25H,12-15H2,1H3
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4.30n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473056
PNG
(CHEMBL141097)
Show SMILES OC(C(=O)OC1CCNCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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4.60n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473057
PNG
(CHEMBL335339)
Show SMILES OC(C(=O)OC1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25NO3/c27-24(29-23-16-17-26(19-23)18-20-10-4-1-5-11-20)25(28,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,28H,16-19H2
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5.20n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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5.93n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473062
PNG
(CHEMBL142026)
Show SMILES CCCN1CCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-2-14-22-15-13-19(16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,24H,2,13-16H2,1H3
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6.20n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473043
PNG
(CHEMBL140576)
Show SMILES OC(C(=O)OC1CCN(CCF)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H22FNO3/c21-12-14-22-13-11-18(15-22)25-19(23)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2
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8.40n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473041
PNG
(CHEMBL140993)
Show SMILES CC(C)N1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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8.70n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473058
PNG
(CHEMBL141397)
Show SMILES OC(C(=O)OC1CCCN(CCCF)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26FNO3/c23-14-8-16-24-15-7-13-20(17-24)27-21(25)22(26,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20,26H,7-8,13-17H2
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9.5n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473055
PNG
(CHEMBL343340)
Show SMILES OC(C(=O)OC1CCCN(CCF)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-13-15-23-14-7-12-19(16-23)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,25H,7,12-16H2
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12n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473048
PNG
(CHEMBL421933)
Show SMILES OC(C(=O)OC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N2O5/c29-25(26(30,21-7-3-1-4-8-21)22-9-5-2-6-10-22)33-24-15-17-27(18-16-24)19-20-11-13-23(14-12-20)28(31)32/h1-14,24,30H,15-19H2
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17n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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17n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473063
PNG
(CHEMBL141174)
Show SMILES OC(C(=O)OC1CCN(CCCF)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24FNO3/c22-13-7-14-23-15-12-19(16-23)26-20(24)21(25,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19,25H,7,12-16H2
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21n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473049
PNG
(CHEMBL141701)
Show SMILES OC(C(=O)OC1CCN(Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24FNO3/c26-22-13-11-19(12-14-22)17-27-16-15-23(18-27)30-24(28)25(29,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23,29H,15-18H2
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26n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473038
PNG
(CHEMBL337773)
Show SMILES OC(C(=O)OC1CCN(CCc2ccc(cc2)[N+]([O-])=O)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O5/c30-26(27(31,22-7-3-1-4-8-22)23-9-5-2-6-10-23)34-25-16-19-28(20-17-25)18-15-21-11-13-24(14-12-21)29(32)33/h1-14,25,31H,15-20H2
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31n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50117181
PNG
((S)-2,3,7,11b-Tetrahydro-1H-dibenzo[de,h]isoquinol...)
Show SMILES Oc1ccc2[C@@H]3CNCc4cccc(Cc2c1O)c34
Show InChI InChI=1S/C16H15NO2/c18-14-5-4-11-12(16(14)19)6-9-2-1-3-10-7-17-8-13(11)15(9)10/h1-5,13,17-19H,6-8H2/t13-/m0/s1
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31.3n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473054
PNG
(CHEMBL140935)
Show SMILES CCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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43n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010685
PNG
((+/-)-trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahyd...)
Show SMILES Oc1cc2CC[C@H]3NCc4ccccc4[C@H]3c2cc1O
Show InChI InChI=1S/C17H17NO2/c19-15-7-10-5-6-14-17(13(10)8-16(15)20)12-4-2-1-3-11(12)9-18-14/h1-4,7-8,14,17-20H,5-6,9H2/t14-,17+/m1/s1
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43.2n/an/an/an/an/an/an/an/a



Purdue University

Curated by PDSP Ki Database




J Med Chem 39: 549-55 (1996)


Article DOI: 10.1021/jm950707+
BindingDB Entry DOI: 10.7270/Q2736PF6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473060
PNG
(CHEMBL140992)
Show SMILES OC(C(=O)OC1CCN(CCCF)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26FNO3/c23-14-7-15-24-16-12-20(13-17-24)27-21(25)22(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20,26H,7,12-17H2
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132n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228819
PNG
(CHEMBL94706)
Show SMILES COc1ccc2OCCc2c1CC(C)N
Show InChI InChI=1S/C12H17NO2/c1-8(13)7-10-9-5-6-15-12(9)4-3-11(10)14-2/h3-4,8H,5-7,13H2,1-2H3
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146n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473061
PNG
(CHEMBL141026)
Show SMILES OC(C(=O)OC1CCCN(Cc2ccc(F)cc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26FNO3/c27-23-15-13-20(14-16-23)18-28-17-7-12-24(19-28)31-25(29)26(30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-16,24,30H,7,12,17-19H2
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146n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
In vitro for binding affinity for muscarinic acetylcholine receptors in homogenized rat brain in the presence of [3H]scopolamine.


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50473052
PNG
(CHEMBL424105)
Show SMILES OC(C(=O)OC1CCCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27NO3/c28-25(26(29,22-13-6-2-7-14-22)23-15-8-3-9-16-23)30-24-17-10-18-27(20-24)19-21-11-4-1-5-12-21/h1-9,11-16,24,29H,10,17-20H2
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237n/an/an/an/an/an/an/an/a



University of Michigan Medical School

Curated by ChEMBL


Assay Description
Tested in vitro for binding affinity against Muscarinic acetylcholine receptor from rat brain using [3H]- Scopolamine as radioligand


J Med Chem 43: 4552-62 (2000)


Article DOI: 10.1021/jm000305o
BindingDB Entry DOI: 10.7270/Q29889RS
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50228821
PNG
(CHEMBL96079)
Show SMILES COc1cc2CCOc2cc1CC(C)N
Show InChI InChI=1S/C12H17NO2/c1-8(13)5-10-7-12-9(3-4-15-12)6-11(10)14-2/h6-8H,3-5,13H2,1-2H3
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388n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50005251
PNG
((+/-)2-(2,5-Dimethoxy-phenyl)-1-methyl-ethylamine ...)
Show SMILES COc1ccc(OC)c(CC(C)N)c1
Show InChI InChI=1S/C11H17NO2/c1-8(12)6-9-7-10(13-2)4-5-11(9)14-3/h4-5,7-8H,6,12H2,1-3H3
PDB

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PubMed
465n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to displace 0.25 nM [125I](R)-DOI from binding sites in rat frontal cortex.


J Med Chem 34: 276-81 (1991)


BindingDB Entry DOI: 10.7270/Q2SN0C6J
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50031567
PNG
(4-(1-Aminomethyl-2-phenyl-ethyl)-benzene-1,2-diol ...)
Show SMILES NCC(Cc1ccccc1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H17NO2/c16-10-13(8-11-4-2-1-3-5-11)12-6-7-14(17)15(18)9-12/h1-7,9,13,17-18H,8,10,16H2
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n/an/a 1.12E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to the dopamine receptor D1 by displacing [3H]-SCH- 23390 radio-ligand in rat striatal membranes by using radioligand competition as...


J Med Chem 38: 2395-409 (1995)


BindingDB Entry DOI: 10.7270/Q2HM57GJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50031567
PNG
(4-(1-Aminomethyl-2-phenyl-ethyl)-benzene-1,2-diol ...)
Show SMILES NCC(Cc1ccccc1)c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H17NO2/c16-10-13(8-11-4-2-1-3-5-11)12-6-7-14(17)15(18)9-12/h1-7,9,13,17-18H,8,10,16H2
PDB

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KEGG

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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 by displacing [3H]-spiperone radio-ligand in rat striatal membranes by using radioligand competition as...


J Med Chem 38: 2395-409 (1995)


BindingDB Entry DOI: 10.7270/Q2HM57GJ
More data for this
Ligand-Target Pair