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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50021185   
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 protein alpha-4/beta-2 subunit


(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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3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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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6.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221887
PNG
(1,1-dimethyl-2-quinolin-6-yl-pyrrolidinium iodide ...)
Show SMILES C[N+]1(C)CCCC1c1ccc2ncccc2c1 |w:6.7|
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1
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45n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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124n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221884
PNG
(CHEMBL243666 | rac-6-(1-methylpyrrolidin-2-yl)quin...)
Show SMILES CN1CCCC1c1ccc2ncccc2c1 |w:5.6|
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3
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132n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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142n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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220n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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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450n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221882
PNG
((R)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221885
PNG
((S)-1,1-Dimethyl-2-quinolin-6-yl-pyrrolidinium; io...)
Show SMILES C[N+]1(C)CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C15H19N2/c1-17(2)10-4-6-15(17)13-7-8-14-12(11-13)5-3-9-16-14/h3,5,7-9,11,15H,4,6,10H2,1-2H3/q+1/t15-/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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1.95E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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2.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50221888
PNG
(CHEMBL390227 | trimethyl-(4-quinolin-6-yl-but-3-yn...)
Show SMILES C[N+](C)(C)CCC#Cc1ccc2ncccc2c1
Show InChI InChI=1S/C16H19N2/c1-18(2,3)12-5-4-7-14-9-10-16-15(13-14)8-6-11-17-16/h6,8-11,13H,5,12H2,1-3H3/q+1
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6.80E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221886
PNG
((R)-6-(1-methyl-pyrrolidin-2-yl)-quinoline | CHEMB...)
Show SMILES CN1CCC[C@@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m1/s1
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8.10E+3n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50221883
PNG
((S)-6-(1-methylpyrrolidin-2-yl)-quinoline | CHEMBL...)
Show SMILES CN1CCC[C@H]1c1ccc2ncccc2c1
Show InChI InChI=1S/C14H16N2/c1-16-9-3-5-14(16)12-6-7-13-11(10-12)4-2-8-15-13/h2,4,6-8,10,14H,3,5,9H2,1H3/t14-/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Displacement of [3H]alpha-bungarotoxin from alpha7 nAChR in rat cerebral cortex


J Med Chem 50: 4993-5002 (2007)


Article DOI: 10.1021/jm070325r
BindingDB Entry DOI: 10.7270/Q2FF3S34
More data for this
Ligand-Target Pair