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7 similar compounds to monomer 50399807

Compile data set for download or QSAR
Wt: 339.4
BDBM50164911
Wt: 387.4
BDBM50399804
Wt: 337.4
BDBM50399809
Wt: 351.4
BDBM50399810
Wt: 339.4
BDBM50399815
Wt: 339.4
BDBM50399816
Wt: 339.4
BDBM50399817

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50164911,50399804,50399809,50399810,50399815,50399816,50399817   
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=1/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+/s2
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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))
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


(Rattus norvegicus (Rat))
BDBM50399816
PNG
(CHEMBL2179838)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/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+/s2
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29.1n/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))
BDBM50399815
PNG
(CHEMBL2179839)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/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+/s2
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31n/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=1/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+/s2
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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))
BDBM50399804
PNG
(CHEMBL2179850)
Show SMILES COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1
Show InChI InChI=1/C21H23F2N3O2/c1-28-15-10-16(22)19(17(23)11-15)21(27)25-20-14-4-7-26(8-5-14)18(20)9-13-3-2-6-24-12-13/h2-3,6,10-12,14,18,20H,4-5,7-9H2,1H3,(H,25,27)/t18-,20+/s2
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150n/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 protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399817
PNG
(CHEMBL2179837)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/c21-17-6-2-1-5-16(17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-4-3-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/s2
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500n/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))
BDBM50399815
PNG
(CHEMBL2179839)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/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+/s2
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700n/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=1/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+/s2
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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))
BDBM50399816
PNG
(CHEMBL2179838)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/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+/s2
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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))
BDBM50399804
PNG
(CHEMBL2179850)
Show SMILES COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1
Show InChI InChI=1/C21H23F2N3O2/c1-28-15-10-16(22)19(17(23)11-15)21(27)25-20-14-4-7-26(8-5-14)18(20)9-13-3-2-6-24-12-13/h2-3,6,10-12,14,18,20H,4-5,7-9H2,1H3,(H,25,27)/t18-,20+/s2
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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))
BDBM50399817
PNG
(CHEMBL2179837)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/c21-17-6-2-1-5-16(17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-4-3-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/s2
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1.30E+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=1/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+/s2
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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 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


(Rattus norvegicus (Rat))
BDBM50399817
PNG
(CHEMBL2179837)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/c21-17-6-2-1-5-16(17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-4-3-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/s2
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n/an/an/an/a 3.00E+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))
BDBM50399816
PNG
(CHEMBL2179838)
Show SMILES Fc1cccc(c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/C20H22FN3O/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+/s2
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n/an/an/an/a 4.11E+5n/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=1/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+/s2
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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=1/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+/s2
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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))
BDBM50399804
PNG
(CHEMBL2179850)
Show SMILES COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1
Show InChI InChI=1/C21H23F2N3O2/c1-28-15-10-16(22)19(17(23)11-15)21(27)25-20-14-4-7-26(8-5-14)18(20)9-13-3-2-6-24-12-13/h2-3,6,10-12,14,18,20H,4-5,7-9H2,1H3,(H,25,27)/t18-,20+/s2
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PubMed
n/an/an/an/a 600n/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))
BDBM50399815
PNG
(CHEMBL2179839)
Show SMILES Fc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1/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+/s2
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
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