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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50033859   
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
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352784
PNG
(CHEMBL1823380)
Show SMILES CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8|
Show InChI InChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352784
PNG
(CHEMBL1823380)
Show SMILES CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8|
Show InChI InChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|
Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352786
PNG
(CHEMBL1823382)
Show SMILES C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8|
Show InChI InChI=1S/C17H18N2O/c1-2-5-12(6-3-1)16-11-17(20-19-16)14-8-4-7-13-9-10-15(14)18-13/h1-3,5-6,8,11,13,15,18H,4,7,9-10H2/t13-,15-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352789
PNG
(CHEMBL1823385)
Show SMILES Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12+/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352790
PNG
(CHEMBL1823386)
Show SMILES Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C10H14N2O/c1-6-10-8-4-2-7(11-8)3-5-9(10)13-12-6/h7-8,11H,2-5H2,1H3/t7-,8+/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352791
PNG
(CHEMBL1823387)
Show SMILES CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C12H16N2O3/c1-2-16-12(15)11-10-8-5-3-7(13-8)4-6-9(10)17-14-11/h7-8,13H,2-6H2,1H3/t7-,8+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352787
PNG
(CHEMBL1823383)
Show SMILES CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11|
Show InChI InChI=1S/C14H18N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-5-3-4-9-6-7-11(10)15-9/h5,8-9,11,15H,2-4,6-7H2,1H3/t9-,11-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352786
PNG
(CHEMBL1823382)
Show SMILES C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8|
Show InChI InChI=1S/C17H18N2O/c1-2-5-12(6-3-1)16-11-17(20-19-16)14-8-4-7-13-9-10-15(14)18-13/h1-3,5-6,8,11,13,15,18H,4,7,9-10H2/t13-,15-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352783
PNG
(CHEMBL1823379)
Show SMILES Cc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:7|
Show InChI InChI=1S/C12H16N2O/c1-8-7-12(15-14-8)10-4-2-3-9-5-6-11(10)13-9/h4,7,9,11,13H,2-3,5-6H2,1H3/t9-,11-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352791
PNG
(CHEMBL1823387)
Show SMILES CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C12H16N2O3/c1-2-16-12(15)11-10-8-5-3-7(13-8)4-6-9(10)17-14-11/h7-8,13H,2-6H2,1H3/t7-,8+/m0/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352787
PNG
(CHEMBL1823383)
Show SMILES CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11|
Show InChI InChI=1S/C14H18N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-5-3-4-9-6-7-11(10)15-9/h5,8-9,11,15H,2-4,6-7H2,1H3/t9-,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352788
PNG
(CHEMBL1823384)
Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352789
PNG
(CHEMBL1823385)
Show SMILES Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r|
Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
alpha-1 Nicotinic AChR


(Homo sapiens (Human))
BDBM50352790
PNG
(CHEMBL1823386)
Show SMILES Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r|
Show InChI InChI=1S/C10H14N2O/c1-6-10-8-4-2-7(11-8)3-5-9(10)13-12-6/h7-8,11H,2-5H2,1H3/t7-,8+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to alpha1 nAchR expressed in human TE671 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50352785
PNG
(CHEMBL1823381)
Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9|
Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1
PDB

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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAchR expressed in rat GH4C1 cells


Bioorg Med Chem Lett 21: 5423-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.127
BindingDB Entry DOI: 10.7270/Q2DR2VWP
More data for this
Ligand-Target Pair