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Compile Data Set for Download or QSAR

Found 554 hits with Last Name = 'gunn' and Initial = 'd'   
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))
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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081496
PNG
(5-((S)-1-Azetidin-2-ylmethoxy)-pyrimidine | CHEMBL...)
Show SMILES C(Oc1cncnc1)[C@@H]1CCN1
Show InChI InChI=1S/C8H11N3O/c1-2-11-7(1)5-12-8-3-9-6-10-4-8/h3-4,6-7,11H,1-2,5H2/t7-/m0/s1
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0.130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081490
PNG
(5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyrimidine...)
Show SMILES CN1CCC[C@H]1COc1cncnc1
Show InChI InChI=1S/C10H15N3O/c1-13-4-2-3-9(13)7-14-10-5-11-8-12-6-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081484
PNG
(3-((S)-1-Methyl-pyrrolidin-3-yloxy)-pyridine | CHE...)
Show SMILES CN1CC[C@@H](C1)Oc1cccnc1
Show InChI InChI=1S/C10H14N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287851
PNG
((S)-2-(3-Fluoro-phenoxymethyl)-azetidine | CHEMBL3...)
Show SMILES Fc1cccc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C10H12FNO/c11-8-2-1-3-10(6-8)13-7-9-4-5-12-9/h1-3,6,9,12H,4-5,7H2/t9-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50034835
PNG
(5-Methyl-6-oxo-5,6-dihydro-4H-7-thia-2,5,9b-triaza...)
Show SMILES CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
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3.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(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 protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081483
PNG
(3-((R)-1-Methyl-pyrrolidin-3-yloxy)-pyridine | CHE...)
Show SMILES CN1CC[C@H](C1)Oc1cccnc1
Show InChI InChI=1S/C10H14N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287814
PNG
((S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cccc(F)c1
Show InChI InChI=1S/C12H16FNO/c1-14-7-3-5-11(14)9-15-12-6-2-4-10(13)8-12/h2,4,6,8,11H,3,5,7,9H2,1H3/t11-/m0/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50044941
PNG
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50044941
PNG
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3
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5.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50034835
PNG
(5-Methyl-6-oxo-5,6-dihydro-4H-7-thia-2,5,9b-triaza...)
Show SMILES CN1Cc2c(ncn2-c2ccsc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
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6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081487
PNG
(5-((S)-1-Methyl-azetidin-2-ylmethoxy)-pyrimidine |...)
Show SMILES CN1CC[C@H]1COc1cncnc1
Show InChI InChI=1S/C9H13N3O/c1-12-3-2-8(12)6-13-9-4-10-7-11-5-9/h4-5,7-8H,2-3,6H2,1H3/t8-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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6.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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8n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50034816
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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8.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50034816
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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9.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM50049739
PNG
(8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3
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10n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM85038
PNG
(CHEMBL43948 | PZII-029)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3cc(OC)ccc23)c1=O
Show InChI InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
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11.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081473
PNG
(5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine | CHEMB...)
Show SMILES CN1CCC(C1)Oc1cncnc1
Show InChI InChI=1S/C9H13N3O/c1-12-3-2-8(6-12)13-9-4-10-7-11-5-9/h4-5,7-8H,2-3,6H2,1H3
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287829
PNG
((R)-2-(3-Fluoro-phenoxymethyl)-pyrrolidine | CHEMB...)
Show SMILES Fc1cccc(OC[C@H]2CCCN2)c1
Show InChI InChI=1S/C11H14FNO/c12-9-3-1-5-11(7-9)14-8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m1/s1
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(RAT)
BDBM50049739
PNG
(8-Ethyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H23N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h7-9,11H,6,10H2,1-5H3
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13.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes, Digestive, and Kidney Diseases

Curated by PDSP Ki Database




Neuropharmacology 35: 1307-14 (1996)


Article DOI: 10.1016/s0028-3908(96)00054-8
BindingDB Entry DOI: 10.7270/Q28S4NF7
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287812
PNG
((S)-2-(3-Fluoro-phenoxymethyl)-pyrrolidine | CHEMB...)
Show SMILES Fc1cccc(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C11H14FNO/c12-9-3-1-5-11(7-9)14-8-10-4-2-6-13-10/h1,3,5,7,10,13H,2,4,6,8H2/t10-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287821
PNG
((S)-2-(3-Fluoro-phenoxymethyl)-1-methyl-azetidine ...)
Show SMILES CN1CC[C@H]1COc1cccc(F)c1
Show InChI InChI=1S/C11H14FNO/c1-13-6-5-10(13)8-14-11-4-2-3-9(12)7-11/h2-4,7,10H,5-6,8H2,1H3/t10-/m0/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081476
PNG
(3-((S)-1-Azetidin-2-ylmethoxy)-6-chloro-pyridazine...)
Show SMILES Clc1ccc(OC[C@@H]2CCN2)nn1
Show InChI InChI=1S/C8H10ClN3O/c9-7-1-2-8(12-11-7)13-5-6-3-4-10-6/h1-2,6,10H,3-5H2/t6-/m0/s1
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50081475
PNG
(2-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyrazine |...)
Show SMILES CN1CCC[C@H]1COc1cnccn1
Show InChI InChI=1S/C10H15N3O/c1-13-6-2-3-9(13)8-14-10-7-11-4-5-12-10/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
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16n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat bra...


Bioorg Med Chem Lett 9: 2747-52 (1999)


BindingDB Entry DOI: 10.7270/Q20Z72HG
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287838
PNG
((S)-2-(3,4-Difluoro-phenoxymethyl)-pyrrolidine | C...)
Show SMILES Fc1ccc(OC[C@@H]2CCCN2)cc1F
Show InChI InChI=1S/C11H13F2NO/c12-10-4-3-9(6-11(10)13)15-7-8-2-1-5-14-8/h3-4,6,8,14H,1-2,5,7H2/t8-/m0/s1
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha9/alpha10


(Rattus norvegicus)
BDBM50287834
PNG
(3-((S)-1-Pyrrolidin-2-ylmethoxy)-benzonitrile | CH...)
Show SMILES N#Cc1cccc(OC[C@@H]2CCCN2)c1
Show InChI InChI=1S/C12H14N2O/c13-8-10-3-1-5-12(7-10)15-9-11-4-2-6-14-11/h1,3,5,7,11,14H,2,4,6,9H2/t11-/m0/s1
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against neuronal nicotinic acetylcholine receptor(nAChR) by using [3H]-Cytisine as radioligand in whole rat brain


Bioorg Med Chem Lett 6: 2283-2288 (1996)


Article DOI: 10.1016/0960-894X(96)00416-7
BindingDB Entry DOI: 10.7270/Q2C82999
More data for this
Ligand-Target Pair
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