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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50007984   
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))
BDBM50069833
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...)
Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069846
PNG
(3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069852
PNG
(3-Isobutyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)...)
Show SMILES CC(C)Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C15H24N2O/c1-12(2)7-13-8-15(10-16-9-13)18-11-14-5-4-6-17(14)3/h8-10,12,14H,4-7,11H2,1-3H3/t14-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069827
PNG
(3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cncc(Br)c1
Show InChI InChI=1S/C11H15BrN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to antagonise cation efflux in nAChR subtype human alpha3betaX, expressed in IMR-32 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069834
PNG
(3-Hexyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCCCCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H28N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-10,14H2,1-2H3/t16-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069837
PNG
(3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/t12-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069839
PNG
(3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(C)c1
Show InChI InChI=1S/C12H18N2O/c1-10-6-12(8-13-7-10)15-9-11-4-3-5-14(11)2/h6-8,11H,3-5,9H2,1-2H3/t11-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069851
PNG
(3-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(Cl)c1
Show InChI InChI=1S/C11H15ClN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069848
PNG
(5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-...)
Show SMILES CN1CCC[C@H]1COc1cncc(N)c1
Show InChI InChI=1S/C11H17N3O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8,12H2,1H3/t10-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069843
PNG
(2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(Cl)nc1
Show InChI InChI=1S/C11H15ClN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069844
PNG
(3-Fluoro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(F)c1
Show InChI InChI=1S/C11H15FN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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0.690n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069841
PNG
(1-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C(C)=O
Show InChI InChI=1S/C13H18N2O2/c1-10(16)11-6-13(8-14-7-11)17-9-12-4-3-5-15(12)2/h6-8,12H,3-5,9H2,1-2H3/t12-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069826
PNG
(2-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(C)nc1
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-12(8-13-10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069829
PNG
(5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-nicotinic ...)
Show SMILES COC(=O)c1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H18N2O3/c1-15-5-3-4-11(15)9-18-12-6-10(7-14-8-12)13(16)17-2/h6-8,11H,3-5,9H2,1-2H3/t11-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069836
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-trifluor...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C12H15F3N2O/c1-17-4-2-3-10(17)8-18-11-5-9(6-16-7-11)12(13,14)15/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069840
PNG
(2-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1ccc(Br)nc1
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069850
PNG
(2-Fluoro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(F)nc1
Show InChI InChI=1S/C11H15FN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069830
PNG
(CHEMBL84537 | Ethyl-[5-((S)-1-methyl-pyrrolidin-2-...)
Show SMILES CCNc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H21N3O/c1-3-15-11-7-13(9-14-8-11)17-10-12-5-4-6-16(12)2/h7-9,12,15H,3-6,10H2,1-2H3/t12-/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069828
PNG
(4-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cnccc1C
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-13-8-12(10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069847
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-nitro-py...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O3/c1-13-4-2-3-9(13)8-17-11-5-10(14(15)16)6-12-7-11/h5-7,9H,2-4,8H2,1H3/t9-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069832
PNG
(CHEMBL82954 | [5-((S)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C16H23N3O2/c1-18-6-4-5-14(18)12-21-15-9-13(10-17-11-15)16(20)19-7-2-3-8-19/h9-11,14H,2-8,12H2,1H3/t14-/m0/s1
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50056148
PNG
(2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069835
PNG
(4-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cnccc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069838
PNG
(3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cc(Br)c[n+]([O-])c1
Show InChI InChI=1S/C11H15BrN2O2/c1-13-4-2-3-10(13)8-16-11-5-9(12)6-14(15)7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069849
PNG
(CHEMBL412372 | [5-((S)-1-Methyl-pyrrolidin-2-ylmet...)
Show SMILES CN1CCC[C@H]1COc1ccc(CO)nc1
Show InChI InChI=1S/C12H18N2O2/c1-14-6-2-3-11(14)9-16-12-5-4-10(8-15)13-7-12/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m0/s1
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97n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069831
PNG
(2-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cccnc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-7-3-4-9(14)8-15-10-5-2-6-13-11(10)12/h2,5-6,9H,3-4,7-8H2,1H3/t9-/m0/s1
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451n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069845
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-2-methylsu...)
Show SMILES CSc1ncccc1OC[C@@H]1CCCN1C
Show InChI InChI=1S/C12H18N2OS/c1-14-8-4-5-10(14)9-15-11-6-3-7-13-12(11)16-2/h3,6-7,10H,4-5,8-9H2,1-2H3/t10-/m0/s1
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559n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069853
PNG
(2-Iodo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyr...)
Show SMILES CN1CCC[C@H]1COc1cccnc1I
Show InChI InChI=1S/C11H15IN2O/c1-14-7-3-4-9(14)8-15-10-5-2-6-13-11(10)12/h2,5-6,9H,3-4,7-8H2,1H3/t9-/m0/s1
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606n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069854
PNG
(CHEMBL310893 | N,N-Diethyl-3-((S)-1-methyl-pyrroli...)
Show SMILES CCN(CC)C(=O)c1ccncc1OC[C@@H]1CCCN1C
Show InChI InChI=1S/C16H25N3O2/c1-4-19(5-2)16(20)14-8-9-17-11-15(14)21-12-13-7-6-10-18(13)3/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1
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2.83E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50069842
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-2-nitro-py...)
Show SMILES CN1CCC[C@H]1COc1cccnc1[N+]([O-])=O
Show InChI InChI=1S/C11H15N3O3/c1-13-7-3-4-9(13)8-17-10-5-2-6-12-11(10)14(15)16/h2,5-6,9H,3-4,7-8H2,1H3/t9-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069846
PNG
(3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration to antagonise cation efflux in nAChR subtype human alpha3betaX, expressed in IMR-32 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069833
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...)
Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069833
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...)
Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069846
PNG
(3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
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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n/an/an/an/a 5.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069831
PNG
(2-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cccnc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-7-3-4-9(14)8-15-10-5-2-6-13-11(10)12/h2,5-6,9H,3-4,7-8H2,1H3/t9-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069826
PNG
(2-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(C)nc1
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-12(8-13-10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50056148
PNG
(2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cccnc1C
Show InChI InChI=1S/C12H18N2O/c1-10-12(6-3-7-13-10)15-9-11-5-4-8-14(11)2/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 4.80E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069833
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-propyl-p...)
Show SMILES CCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C14H22N2O/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2/h8-10,13H,3-7,11H2,1-2H3/t13-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069827
PNG
(3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cncc(Br)c1
Show InChI InChI=1S/C11H15BrN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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n/an/an/an/a 5.95E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069835
PNG
(4-Bromo-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cnccc1Br
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-11-7-13-5-4-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069846
PNG
(3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCCCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C15H24N2O/c1-3-4-6-13-9-15(11-16-10-13)18-12-14-7-5-8-17(14)2/h9-11,14H,3-8,12H2,1-2H3/t14-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069828
PNG
(4-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cnccc1C
Show InChI InChI=1S/C12H18N2O/c1-10-5-6-13-8-12(10)15-9-11-4-3-7-14(11)2/h5-6,8,11H,3-4,7,9H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069837
PNG
(3-Ethyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CCc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C13H20N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h7-9,12H,3-6,10H2,1-2H3/t12-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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n/an/an/an/a 750n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069843
PNG
(2-Chloro-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1ccc(Cl)nc1
Show InChI InChI=1S/C11H15ClN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Stimulation of cation efflux in human nAChR alpha4-beta2 expressing K177 cells


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069840
PNG
(2-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1ccc(Br)nc1
Show InChI InChI=1S/C11H15BrN2O/c1-14-6-2-3-9(14)8-15-10-4-5-11(12)13-7-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50069839
PNG
(3-Methyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(C)c1
Show InChI InChI=1S/C12H18N2O/c1-10-6-12(8-13-7-10)15-9-11-4-3-5-14(11)2/h6-8,11H,3-5,9H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards nAChR (alpha4-beta2) by the displacement of [3H]-(-)-cytisine in whole rat brain membranes.


Bioorg Med Chem Lett 8: 249-54 (1999)


BindingDB Entry DOI: 10.7270/Q2P26X90
More data for this
Ligand-Target Pair