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Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 50041858   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328016
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-phenylaminopyridi...)
Show SMILES C(Oc1cncc(Nc2ccccc2)c1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C16H19N3O/c1-2-5-13(6-3-1)19-15-9-16(11-17-10-15)20-12-14-7-4-8-18-14/h1-3,5-6,9-11,14,18-19H,4,7-8,12H2/t14-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328009
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-benzylaminopyridi...)
Show SMILES C(Nc1cncc(OC[C@@H]2CCCN2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2/t15-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328000
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-butylaminopyridin...)
Show SMILES CCCCNc1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C14H23N3O/c1-2-3-6-17-13-8-14(10-15-9-13)18-11-12-5-4-7-16-12/h8-10,12,16-17H,2-7,11H2,1H3/t12-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328010
PNG
(3-[(2(S)-Azetidinyl)methoxy]-5-(piperidinyl)pyridi...)
Show SMILES C(Oc1cncc(c1)N1CCCCC1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C14H21N3O/c1-2-6-17(7-3-1)13-8-14(10-15-9-13)18-11-12-4-5-16-12/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/a 470n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328012
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(thiomorpholinyl)...)
Show SMILES C(Oc1cncc(c1)N1CCSCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H21N3OS/c1-2-12(16-3-1)11-18-14-8-13(9-15-10-14)17-4-6-19-7-5-17/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328003
PNG
(3-(1-Indolyl)-5-(2(S)-pyrrolidinylmethoxy)pyridine...)
Show SMILES C(Oc1cncc(c1)-n1ccc2ccccc12)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H19N3O/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15/h1-2,4,6-7,9-12,15,20H,3,5,8,13H2/t15-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328007
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-methyl-N-benz...)
Show SMILES CN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C18H23N3O/c1-21(13-15-6-3-2-4-7-15)17-10-18(12-19-11-17)22-14-16-8-5-9-20-16/h2-4,6-7,10-12,16,20H,5,8-9,13-14H2,1H3/t16-/m0/s1
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328005
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-ethyl-N-pheny...)
Show SMILES CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C18H23N3O/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3/t15-/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328014
PNG
(3-[(1-Methyl-2(S)-pyrrolidinyl)methoxy]-5-(piperid...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)N1CCCCC1 |r|
Show InChI InChI=1S/C16H25N3O/c1-18-7-5-6-14(18)13-20-16-10-15(11-17-12-16)19-8-3-2-4-9-19/h10-12,14H,2-9,13H2,1H3/t14-/m0/s1
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n/an/a 3.82E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328013
PNG
(3-(1-Indolinyl)-5-[(2(S)-pyrrolidinyl)methoxy]pyri...)
Show SMILES C(Oc1cncc(c1)N1CCc2ccccc12)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H21N3O/c1-2-6-18-14(4-1)7-9-21(18)16-10-17(12-19-11-16)22-13-15-5-3-8-20-15/h1-2,4,6,10-12,15,20H,3,5,7-9,13H2/t15-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328015
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(pyrrolidinyl)pyr...)
Show SMILES C(Oc1cncc(c1)N1CCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H21N3O/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/a 6.46E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328008
PNG
(3-[(1-Methyl-2(S)-azetidinyl)methoxy]-5-(piperidin...)
Show SMILES CN1CC[C@H]1COc1cncc(c1)N1CCCCC1 |r|
Show InChI InChI=1S/C15H23N3O/c1-17-8-5-13(17)12-19-15-9-14(10-16-11-15)18-6-3-2-4-7-18/h9-11,13H,2-8,12H2,1H3/t13-/m0/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328004
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-diethylaminopyrid...)
Show SMILES CCN(CC)c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C14H23N3O/c1-3-17(4-2)13-8-14(10-15-9-13)18-11-12-6-5-7-16-12/h8-10,12,16H,3-7,11H2,1-2H3/t12-/m0/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328011
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(piperidinyl)pyri...)
Show SMILES C(Oc1cncc(c1)N1CCCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C15H23N3O/c1-2-7-18(8-3-1)14-9-15(11-16-10-14)19-12-13-5-4-6-17-13/h9-11,13,17H,1-8,12H2/t13-/m0/s1
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n/an/a 1.99E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328006
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(morpholinyl)pyri...)
Show SMILES C(Oc1cncc(c1)N1CCOCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H21N3O2/c1-2-12(16-3-1)11-19-14-8-13(9-15-10-14)17-4-6-18-7-5-17/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328002
PNG
(3-(1,3-Dihydro-2H-isoindol-2-yl)-5-[(2(S)-pyrrolid...)
Show SMILES C(Oc1cncc(c1)N1Cc2ccccc2C1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C18H21N3O/c1-2-5-15-12-21(11-14(15)4-1)17-8-18(10-19-9-17)22-13-16-6-3-7-20-16/h1-2,4-5,8-10,16,20H,3,6-7,11-13H2/t16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328001
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(piperazinyl)pyri...)
Show SMILES C(Oc1cncc(c1)N1CCNCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H22N4O/c1-2-12(17-3-1)11-19-14-8-13(9-16-10-14)18-6-4-15-5-7-18/h8-10,12,15,17H,1-7,11H2/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inactivation of nAChR alpha4beta2 in human SH-EP1 cells


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328009
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-benzylaminopyridi...)
Show SMILES C(Nc1cncc(OC[C@@H]2CCCN2)c1)c1ccccc1 |r|
Show InChI InChI=1S/C17H21N3O/c1-2-5-14(6-3-1)10-20-16-9-17(12-18-11-16)21-13-15-7-4-8-19-15/h1-3,5-6,9,11-12,15,19-20H,4,7-8,10,13H2/t15-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328016
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-phenylaminopyridi...)
Show SMILES C(Oc1cncc(Nc2ccccc2)c1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C16H19N3O/c1-2-5-13(6-3-1)19-15-9-16(11-17-10-15)20-12-14-7-4-8-18-14/h1-3,5-6,9-11,14,18-19H,4,7-8,12H2/t14-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328015
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(pyrrolidinyl)pyr...)
Show SMILES C(Oc1cncc(c1)N1CCCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H21N3O/c1-2-7-17(6-1)13-8-14(10-15-9-13)18-11-12-4-3-5-16-12/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/an/an/a 1.56E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328012
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-(thiomorpholinyl)...)
Show SMILES C(Oc1cncc(c1)N1CCSCC1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C14H21N3OS/c1-2-12(16-3-1)11-18-14-8-13(9-15-10-14)17-4-6-19-7-5-17/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328005
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-ethyl-N-pheny...)
Show SMILES CCN(c1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C18H23N3O/c1-2-21(16-8-4-3-5-9-16)17-11-18(13-19-12-17)22-14-15-7-6-10-20-15/h3-5,8-9,11-13,15,20H,2,6-7,10,14H2,1H3/t15-/m0/s1
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n/an/an/an/a 1.22E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328007
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-[(N-methyl-N-benz...)
Show SMILES CN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C18H23N3O/c1-21(13-15-6-3-2-4-7-15)17-10-18(12-19-11-17)22-14-16-8-5-9-20-16/h2-4,6-7,10-12,16,20H,5,8-9,13-14H2,1H3/t16-/m0/s1
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n/an/an/an/a 760n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328000
PNG
(3-[(2(S)-Pyrrolidinyl)methoxy]-5-butylaminopyridin...)
Show SMILES CCCCNc1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C14H23N3O/c1-2-3-6-17-13-8-14(10-15-9-13)18-11-12-5-4-7-16-12/h8-10,12,16-17H,2-7,11H2,1H3/t12-/m0/s1
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n/an/an/an/a 460n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50328010
PNG
(3-[(2(S)-Azetidinyl)methoxy]-5-(piperidinyl)pyridi...)
Show SMILES C(Oc1cncc(c1)N1CCCCC1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C14H21N3O/c1-2-6-17(7-3-1)13-8-14(10-15-9-13)18-11-12-4-5-16-12/h8-10,12,16H,1-7,11H2/t12-/m0/s1
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n/an/an/an/a 1.14E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human nAChR alpha4beta2 in human SH-EP1 cells assessed as induction in rubidium efflux


J Med Chem 53: 6973-85 (2010)


Article DOI: 10.1021/jm100765u
BindingDB Entry DOI: 10.7270/Q25B03RQ
More data for this
Ligand-Target Pair