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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-7' and Ligand = 'BDBM50061564'   
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-7


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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220n/an/an/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7


J Med Chem 48: 2678-86 (2005)


Article DOI: 10.1021/jm049188d
BindingDB Entry DOI: 10.7270/Q2M0466W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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886n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs


Eur J Med Chem 45: 2433-46 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.027
BindingDB Entry DOI: 10.7270/Q27081M9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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886n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs


Eur J Med Chem 45: 2433-46 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.027
BindingDB Entry DOI: 10.7270/Q27081M9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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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]-methyllycaconitine from alpha7 nAChR in rat hippocampal membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 46: 5625-35 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.033
BindingDB Entry DOI: 10.7270/Q2639Q4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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n/an/an/an/a 6.00E+3n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes incubated for 90 secs followed by washout period for 5 mins by ele...


Eur J Med Chem 160: 37-48 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.073
BindingDB Entry DOI: 10.7270/Q2QV3QXP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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n/an/an/a 158n/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR


J Med Chem 51: 6293-302 (2008)


Article DOI: 10.1021/jm800607u
BindingDB Entry DOI: 10.7270/Q2NZ88JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11|
Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+
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n/an/an/an/a 2.00E+3n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha7 nAChR expressed in rat GH3 cells by calcium influx assay


Bioorg Med Chem Lett 19: 1287-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.073
BindingDB Entry DOI: 10.7270/Q2GM875B
More data for this
Ligand-Target Pair