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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'moroni' and Initial = 'b'   
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


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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20n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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234n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes


Bioorg Med Chem Lett 16: 5610-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.020
BindingDB Entry DOI: 10.7270/Q28G8MH4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
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330n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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460n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155637
PNG
(CHEMBL186295 | Propan-2-one O-((S)-1-methyl-pyrrol...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m0/s1
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520n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1 |r|
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155635
PNG
((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C\[C@@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m0/s1
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1.52E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155643
PNG
((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C/[C@@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7-/t9-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155642
PNG
((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C\[C@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155634
PNG
(Acetaldehyde O-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m1/s1
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5.79E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50370829
PNG
(CHEMBL481368)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes


Bioorg Med Chem Lett 16: 5610-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.020
BindingDB Entry DOI: 10.7270/Q28G8MH4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155636
PNG
((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C/[C@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7-/t9-/m1/s1
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1.45E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155640
PNG
(CHEMBL187098 | Propan-2-one O-((R)-1-methyl-pyrrol...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m1/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50370830
PNG
(CHEMBL481374)
Show SMILES CN1CCC[C@@H]1[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C13H17NO2/c1-14-8-4-5-10(14)13-9-15-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3/t10-,13-/m1/s1
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4.50E+4n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes


Bioorg Med Chem Lett 16: 5610-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.020
BindingDB Entry DOI: 10.7270/Q28G8MH4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50155642
PNG
((R)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C\[C@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m1/s1
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4.70E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50155637
PNG
(CHEMBL186295 | Propan-2-one O-((S)-1-methyl-pyrrol...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]\[#7]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-7-9-5-4-6-11(9)3/h9H,4-7H2,1-3H3/t9-/m0/s1
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4.90E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50155635
PNG
((S)-1-Methyl-pyrrolidine-2-carbaldehyde O-isopropy...)
Show SMILES CC(C)O\N=C\[C@@H]1CCCN1C
Show InChI InChI=1S/C9H18N2O/c1-8(2)12-10-7-9-5-4-6-11(9)3/h7-9H,4-6H2,1-3H3/b10-7+/t9-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50155639
PNG
(Acetaldehyde O-((S)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES C\C=N/OC[C@@H]1CCCN1C
Show InChI InChI=1S/C8H16N2O/c1-3-9-11-7-8-5-4-6-10(8)2/h3,8H,4-7H2,1-2H3/b9-3-/t8-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [125 I]-alpha Bungarotoxin binding to alpha 7 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155641
PNG
(CHEMBL365474 | Propan-2-one O-((R)-1-methyl-piperi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#8]\[#7]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-9-5-4-6-11(3)7-9/h9H,4-7H2,1-3H3/t9-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50155638
PNG
(CHEMBL185926 | Propan-2-one O-((S)-1-methyl-piperi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#6]-1)-[#8]\[#7]=[#6](/[#6])-[#6]
Show InChI InChI=1S/C9H18N2O/c1-8(2)10-12-9-5-4-6-11(3)7-9/h9H,4-7H2,1-3H3/t9-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50194316
PNG
((5R,2'S)-5-(1-methyl-2-pyrrolidinyl)oxazolidinone ...)
Show SMILES CN1CCC[C@H]1[C@H]1CNC(=O)O1 |r|
Show InChI InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)7-5-9-8(11)12-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1
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1.17E+5n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes


Bioorg Med Chem Lett 16: 5610-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.020
BindingDB Entry DOI: 10.7270/Q28G8MH4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50194313
PNG
((5S,2'R)-5-(1-methyl-2-pyrrolidinyl)oxazolidinone ...)
Show SMILES CN1CCC[C@@H]1[C@@H]1CNC(=O)O1 |r|
Show InChI InChI=1S/C8H14N2O2/c1-10-4-2-3-6(10)7-5-9-8(11)12-7/h6-7H,2-5H2,1H3,(H,9,11)/t6-,7+/m1/s1
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3.38E+5n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-Bungarotoxin from alpha-7 nAChR in rat brain cortex membranes


Bioorg Med Chem Lett 16: 5610-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.020
BindingDB Entry DOI: 10.7270/Q28G8MH4
More data for this
Ligand-Target Pair