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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'farias' and Initial = 'jj'   
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))
BDBM50387569
PNG
(CHEMBL2057714)
Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|
Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2
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10n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50257941
PNG
(7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
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29n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50387567
PNG
(CHEMBL2057712)
Show SMILES C1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|
Show InChI InChI=1S/C14H19N3/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12/h1-2,5,9,12H,3-4,6-8,10-11H2
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29n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50387568
PNG
(CHEMBL2057713)
Show SMILES C1CC2(CN1c1cccnc1)CC1CCN2CC1
Show InChI InChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
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32n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human nAChR alpha4beta2 expressed in human SH-EP1 cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387569
PNG
(CHEMBL2057714)
Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|
Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2
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560n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387568
PNG
(CHEMBL2057713)
Show SMILES C1CC2(CN1c1cccnc1)CC1CCN2CC1
Show InChI InChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
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1.10E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50257941
PNG
(7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
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1.20E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387567
PNG
(CHEMBL2057712)
Show SMILES C1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|
Show InChI InChI=1S/C14H19N3/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12/h1-2,5,9,12H,3-4,6-8,10-11H2
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2.40E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50257941
PNG
(7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
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6.90E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50387569
PNG
(CHEMBL2057714)
Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|
Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2
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7.60E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50387567
PNG
(CHEMBL2057712)
Show SMILES C1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|
Show InChI InChI=1S/C14H19N3/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12/h1-2,5,9,12H,3-4,6-8,10-11H2
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7.90E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50387568
PNG
(CHEMBL2057713)
Show SMILES C1CC2(CN1c1cccnc1)CC1CCN2CC1
Show InChI InChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
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8.00E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human nAChR alpha7 expressed in HEK cells coexpressing RIC3


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50257941
PNG
(7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...)
Show SMILES C1CNC2(C1)CCN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2
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n/an/an/an/a 5.50E+4n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387567
PNG
(CHEMBL2057712)
Show SMILES C1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|
Show InChI InChI=1S/C14H19N3/c1-2-13(9-15-5-1)16-7-4-14(11-16)8-12-3-6-17(14)10-12/h1-2,5,9,12H,3-4,6-8,10-11H2
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n/an/an/an/a 3.10E+4n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387568
PNG
(CHEMBL2057713)
Show SMILES C1CC2(CN1c1cccnc1)CC1CCN2CC1
Show InChI InChI=1S/C15H21N3/c1-2-14(11-16-6-1)17-9-5-15(12-17)10-13-3-7-18(15)8-4-13/h1-2,6,11,13H,3-5,7-10,12H2
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n/an/an/an/a 6.90E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))
BDBM50387569
PNG
(CHEMBL2057714)
Show SMILES C1CN2CCC1C21CCN(C1)c1cccnc1 |TLB:10:6:0.1:3.4,THB:7:6:0.1:3.4|
Show InChI InChI=1S/C14H19N3/c1-2-13(10-15-6-1)16-9-5-14(11-16)12-3-7-17(14)8-4-12/h1-2,6,10,12H,3-5,7-9,11H2
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n/an/an/an/a 2.60E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human ganglionic nAChR alpha3beta4 expressed in human SHSY-5Y cells assessed as calcium flux by fluorescence analysis


Bioorg Med Chem Lett 22: 5089-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.108
BindingDB Entry DOI: 10.7270/Q24X58W1
More data for this
Ligand-Target Pair