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19 similar compounds to monomer 50393248

Compile data set for download or QSAR
Wt: 321.4
BDBM92876
Wt: 400.3
BDBM92877
Wt: 429.5
BDBM102932
Wt: 364.4
BDBM50164947
Wt: 429.5
BDBM50164898
Wt: 321.4
BDBM50164900
Wt: 339.4
BDBM50164911
Wt: 400.3
BDBM50164913
Wt: 400.3
BDBM50164914
Wt: 322.4
BDBM50399802
Wt: 351.4
BDBM50399808
Wt: 337.4
BDBM50399809
Wt: 351.4
BDBM50399810
Wt: 364.4
BDBM50399811
Wt: 355.8
BDBM50399812
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 92876,92877,102932,50164947,50164898,50164900,50164911,50164913,50164914,50399802,50399808,50399809,50399810,50399811,50399812   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399810
PNG
(CHEMBL2179844)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c1-26-18-6-4-17(5-7-18)21(25)23-20-16-8-11-24(12-9-16)19(20)13-15-3-2-10-22-14-15/h2-7,10,14,16,19-20H,8-9,11-13H2,1H3,(H,23,25)/t19-,20+/m0/s1
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6.40n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164913
PNG
(4-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19-/m1/s1
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7n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164898
PNG
(4-Phenylsulfanyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3OS/c30-26(21-8-10-23(11-9-21)31-22-6-2-1-3-7-22)28-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)/t24-,25-/m1/s1
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9n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM102932
PNG
(US8541447, 8)
Show SMILES O=C(NC1C2CCN(CC2)C1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3OS/c30-26(21-8-10-23(11-9-21)31-22-6-2-1-3-7-22)28-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)
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US Patent
9n/an/an/an/an/an/an/an/a



Targacept Inc

US Patent


Assay Description
Binding assay using alpha 7 nAChR.


US Patent US8541447 (2013)


BindingDB Entry DOI: 10.7270/Q2B56HCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164911
PNG
(4-Fluoro-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bic...)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22FN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19-/m1/s1
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12n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399812
PNG
(CHEMBL2179842)
Show SMILES Clc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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15n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164900
PNG
(CHEMBL194291 | N-((2R,3R)-2-Pyridin-3-ylmethyl-1-a...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19-/m1/s1
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52n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164914
PNG
(3-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-1-4-16(12-17)20(25)23-19-15-6-9-24(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H,23,25)/t18-,19-/m1/s1
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64n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399808
PNG
(CHEMBL2179846)
Show SMILES OCc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c25-14-15-3-5-18(6-4-15)21(26)23-20-17-7-10-24(11-8-17)19(20)12-16-2-1-9-22-13-16/h1-6,9,13,17,19-20,25H,7-8,10-12,14H2,(H,23,26)/t19-,20+/m0/s1
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76n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399809
PNG
(CHEMBL2179845)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H23N3O2/c24-17-5-3-16(4-6-17)20(25)22-19-15-7-10-23(11-8-15)18(19)12-14-2-1-9-21-13-14/h1-6,9,13,15,18-19,24H,7-8,10-12H2,(H,22,25)/t18-,19+/m0/s1
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94.8n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399811
PNG
(CHEMBL2179843)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21+/m0/s1
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112n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50164947
PNG
(4-Dimethylamino-N-((2R,3R)-2-pyridin-3-ylmethyl-1-...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21-/m1/s1
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134n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399811
PNG
(CHEMBL2179843)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21+/m0/s1
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300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399802
PNG
(CHEMBL2179852)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C19H22N4O/c24-19(16-4-2-8-21-13-16)22-18-15-5-9-23(10-6-15)17(18)11-14-3-1-7-20-12-14/h1-4,7-8,12-13,15,17-18H,5-6,9-11H2,(H,22,24)/t17-,18+/m0/s1
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500n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399810
PNG
(CHEMBL2179844)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c1-26-18-6-4-17(5-7-18)21(25)23-20-16-8-11-24(12-9-16)19(20)13-15-3-2-10-22-14-15/h2-7,10,14,16,19-20H,8-9,11-13H2,1H3,(H,23,25)/t19-,20+/m0/s1
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900n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399808
PNG
(CHEMBL2179846)
Show SMILES OCc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c25-14-15-3-5-18(6-4-15)21(26)23-20-17-7-10-24(11-8-17)19(20)12-16-2-1-9-22-13-16/h1-6,9,13,17,19-20,25H,7-8,10-12,14H2,(H,23,26)/t19-,20+/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399812
PNG
(CHEMBL2179842)
Show SMILES Clc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50399809
PNG
(CHEMBL2179845)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H23N3O2/c24-17-5-3-16(4-6-17)20(25)22-19-15-7-10-23(11-8-15)18(19)12-14-2-1-9-21-13-14/h1-6,9,13,15,18-19,24H,7-8,10-12H2,(H,22,25)/t18-,19+/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine human alpha4beta2 nAChR in SH-EP1 cell membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399802
PNG
(CHEMBL2179852)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C19H22N4O/c24-19(16-4-2-8-21-13-16)22-18-15-5-9-23(10-6-15)17(18)11-14-3-1-7-20-12-14/h1-4,7-8,12-13,15,17-18H,5-6,9-11H2,(H,22,24)/t17-,18+/m0/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164914
PNG
(3-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-1-4-16(12-17)20(25)23-19-15-6-9-24(10-7-15)18(19)11-14-3-2-8-22-13-14/h1-5,8,12-13,15,18-19H,6-7,9-11H2,(H,23,25)/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164913
PNG
(4-Bromo-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicy...)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164911
PNG
(4-Fluoro-N-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bic...)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22FN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164898
PNG
(4-Phenylsulfanyl-N-((2R,3R)-2-pyridin-3-ylmethyl-1...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccc(Sc2ccccc2)cc1
Show InChI InChI=1S/C26H27N3OS/c30-26(21-8-10-23(11-9-21)31-22-6-2-1-3-7-22)28-25-20-12-15-29(16-13-20)24(25)17-19-5-4-14-27-18-19/h1-11,14,18,20,24-25H,12-13,15-17H2,(H,28,30)/t24-,25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164900
PNG
(CHEMBL194291 | N-((2R,3R)-2-Pyridin-3-ylmethyl-1-a...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50164947
PNG
(4-Dimethylamino-N-((2R,3R)-2-pyridin-3-ylmethyl-1-...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2; Not significant


Bioorg Med Chem Lett 15: 2073-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.045
BindingDB Entry DOI: 10.7270/Q2GT5NX3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399811
PNG
(CHEMBL2179843)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C22H28N4O/c1-25(2)19-7-5-18(6-8-19)22(27)24-21-17-9-12-26(13-10-17)20(21)14-16-4-3-11-23-15-16/h3-8,11,15,17,20-21H,9-10,12-14H2,1-2H3,(H,24,27)/t20-,21+/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399810
PNG
(CHEMBL2179844)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c1-26-18-6-4-17(5-7-18)21(25)23-20-16-8-11-24(12-9-16)19(20)13-15-3-2-10-22-14-15/h2-7,10,14,16,19-20H,8-9,11-13H2,1H3,(H,23,25)/t19-,20+/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399809
PNG
(CHEMBL2179845)
Show SMILES Oc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H23N3O2/c24-17-5-3-16(4-6-17)20(25)22-19-15-7-10-23(11-8-15)18(19)12-14-2-1-9-21-13-14/h1-6,9,13,15,18-19,24H,7-8,10-12H2,(H,22,25)/t18-,19+/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399808
PNG
(CHEMBL2179846)
Show SMILES OCc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C21H25N3O2/c25-14-15-3-5-18(6-4-15)21(26)23-20-17-7-10-24(11-8-17)19(20)12-16-2-1-9-22-13-16/h1-6,9,13,17,19-20,25H,7-8,10-12,14H2,(H,23,26)/t19-,20+/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399802
PNG
(CHEMBL2179852)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C19H22N4O/c24-19(16-4-2-8-21-13-16)22-18-15-5-9-23(10-6-15)17(18)11-14-3-1-7-20-12-14/h1-4,7-8,12-13,15,17-18H,5-6,9-11H2,(H,22,24)/t17-,18+/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50399812
PNG
(CHEMBL2179842)
Show SMILES Clc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22ClN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM92876
PNG
(Quinuclidine analogue, 3)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18?,19-/m1/s1
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n/an/an/a 141n/an/an/a7.425



Beactica AB



Assay Description
Interaction assay using AChBP.


Biochemistry 49: 8143-54 (2010)


Article DOI: 10.1021/bi1006354
BindingDB Entry DOI: 10.7270/Q2TB15HP
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM92877
PNG
(Quinuclidine analogue, 4)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)C1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18?,19-/m1/s1
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n/an/an/a 53.5n/an/an/a7.425



Beactica AB



Assay Description
Interaction assay using AChBP.


Biochemistry 49: 8143-54 (2010)


Article DOI: 10.1021/bi1006354
BindingDB Entry DOI: 10.7270/Q2TB15HP
More data for this
Ligand-Target Pair