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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50034102   
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))
BDBM50357064
PNG
(CHEMBL1917231)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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427n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357067
PNG
(CHEMBL1917234)
Show SMILES CN1CCC[C@@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357071
PNG
(CHEMBL1917237)
Show SMILES Oc1ccc2OC[C@H](Oc2c1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C12H15NO3/c14-8-3-4-10-11(6-8)16-12(7-15-10)9-2-1-5-13-9/h3-4,6,9,12-14H,1-2,5,7H2/t9-,12+/m1/s1
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3.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357066
PNG
(CHEMBL1917233)
Show SMILES CN1CCC[C@@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357074
PNG
(CHEMBL1917240)
Show SMILES CC(C)Oc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C16H23NO3/c1-11(2)19-12-6-7-14-15(9-12)20-16(10-18-14)13-5-4-8-17(13)3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-,16-/m0/s1
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6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357076
PNG
(CHEMBL1917224)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(CO)cc2O1 |r|
Show InChI InChI=1S/C14H19NO3/c1-15-6-2-3-11(15)14-9-17-12-5-4-10(8-16)7-13(12)18-14/h4-5,7,11,14,16H,2-3,6,8-9H2,1H3/t11-,14+/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357065
PNG
(CHEMBL1917232)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357079
PNG
(CHEMBL1917227)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(Br)cc2O1 |r|
Show InChI InChI=1S/C13H16BrNO2/c1-15-6-2-3-10(15)13-8-16-11-5-4-9(14)7-12(11)17-13/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357061
PNG
(CHEMBL1917228)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1 |r|
Show InChI InChI=1S/C13H16BrNO2/c1-15-6-2-3-10(15)13-8-16-11-5-4-9(14)7-12(11)17-13/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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2.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357073
PNG
(CHEMBL1917239)
Show SMILES COc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C14H19NO3/c1-15-7-3-4-11(15)14-9-17-12-6-5-10(16-2)8-13(12)18-14/h5-6,8,11,14H,3-4,7,9H2,1-2H3/t11-,14+/m0/s1
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2.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357078
PNG
(CHEMBL1917226)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(cc2O1)C(C)=O |r|
Show InChI InChI=1S/C15H19NO3/c1-10(17)11-5-6-13-14(8-11)19-15(9-18-13)12-4-3-7-16(12)2/h5-6,8,12,15H,3-4,7,9H2,1-2H3/t12-,15+/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357072
PNG
(CHEMBL1917238)
Show SMILES COc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C14H19NO3/c1-15-7-3-4-11(15)14-9-17-12-6-5-10(16-2)8-13(12)18-14/h5-6,8,11,14H,3-4,7,9H2,1-2H3/t11-,14-/m0/s1
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3.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357068
PNG
(CHEMBL1917235)
Show SMILES Oc1ccc2OC[C@H](Oc2c1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C12H15NO3/c14-8-3-4-10-11(6-8)16-12(7-15-10)9-2-1-5-13-9/h3-4,6,9,12-14H,1-2,5,7H2/t9-,12-/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357070
PNG
(CHEMBL1917236)
Show SMILES Oc1ccc2OC[C@@H](Oc2c1)[C@H]1CCCN1 |r|
Show InChI InChI=1S/C12H15NO3/c14-8-3-4-10-11(6-8)16-12(7-15-10)9-2-1-5-13-9/h3-4,6,9,12-14H,1-2,5,7H2/t9-,12-/m1/s1
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3.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357062
PNG
(CHEMBL1917229)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(cc2O1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2/c1-20-11-5-8-16(20)19-13-21-17-10-9-15(12-18(17)22-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,19H,5,8,11,13H2,1H3/t16-,19-/m0/s1
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3.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357075
PNG
(CHEMBL1917241)
Show SMILES CC(C)Oc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C16H23NO3/c1-11(2)19-12-6-7-14-15(9-12)20-16(10-18-14)13-5-4-8-17(13)3/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3/t13-,16+/m0/s1
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4.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357063
PNG
(CHEMBL1917230)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(cc2O1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO2/c1-20-11-5-8-16(20)19-13-21-17-10-9-15(12-18(17)22-19)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16,19H,5,8,11,13H2,1H3/t16-,19+/m0/s1
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5.10E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357069
PNG
(CHEMBL1914487)
Show SMILES Oc1ccc2OC[C@@H](Oc2c1)[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C12H15NO3/c14-8-3-4-10-11(6-8)16-12(7-15-10)9-2-1-5-13-9/h3-4,6,9,12-14H,1-2,5,7H2/t9-,12+/m0/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357082
PNG
(CHEMBL1917223)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(CO)cc2O1 |r|
Show InChI InChI=1S/C14H19NO3/c1-15-6-2-3-11(15)14-9-17-12-5-4-10(8-16)7-13(12)18-14/h4-5,7,11,14,16H,2-3,6,8-9H2,1H3/t11-,14-/m0/s1
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6.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357081
PNG
(CHEMBL1917222)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(C)cc2O1 |r|
Show InChI InChI=1S/C14H19NO2/c1-10-5-6-12-13(8-10)17-14(9-16-12)11-4-3-7-15(11)2/h5-6,8,11,14H,3-4,7,9H2,1-2H3/t11-,14+/m0/s1
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6.40E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357077
PNG
(CHEMBL1917225)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(cc2O1)C(C)=O |r|
Show InChI InChI=1S/C15H19NO3/c1-10(17)11-5-6-13-14(8-11)19-15(9-18-13)12-4-3-7-16(12)2/h5-6,8,12,15H,3-4,7,9H2,1-2H3/t12-,15-/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357080
PNG
(CHEMBL1917221)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(C)cc2O1 |r|
Show InChI InChI=1S/C14H19NO2/c1-10-5-6-12-13(8-10)17-14(9-16-12)11-4-3-7-15(11)2/h5-6,8,11,14H,3-4,7,9H2,1-2H3/t11-,14-/m0/s1
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1.26E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50357061
PNG
(CHEMBL1917228)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1 |r|
Show InChI InChI=1S/C13H16BrNO2/c1-15-6-2-3-10(15)13-8-16-11-5-4-9(14)7-12(11)17-13/h4-5,7,10,13H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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n/an/an/a 0.300n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting


J Med Chem 54: 7588-601 (2011)


Article DOI: 10.1021/jm200937t
BindingDB Entry DOI: 10.7270/Q2K64JGC
More data for this
Ligand-Target Pair