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PubMed code 24187998

Compile data set for download or QSAR
Found 96 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11|
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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98n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4/beta2 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
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550n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50006648
PNG
(CHEBI:4838 | ERYSOTRINE)
Show SMILES CO[C@@H]1C[C@]23N(CC=C2C=C1)CCc1cc(OC)c(OC)cc31 |r,c:7,10|
Show InChI InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha4/beta2 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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870n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006632
PNG
(CHEMBL3235508)
Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006636
PNG
(CHEMBL3235512)
Show SMILES COc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
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3.40E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006633
PNG
(CHEMBL3235509)
Show SMILES COc1cc2CCN3CCCC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3
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5.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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6.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006629
PNG
(CHEMBL3235505)
Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50006647
PNG
(ERYSODINE | Erysodine)
Show SMILES CO[C@@H]1C[C@]23N(CC=C2C=C1)CCc1cc(O)c(OC)cc31 |r,c:7,10|
Show InChI InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-16(20)17(22-2)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha7 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006630
PNG
(CHEMBL3235506)
Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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8.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11|
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from alpha7 nAChR (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
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1.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006631
PNG
(CHEMBL3235507)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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1.80E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006632
PNG
(CHEMBL3235508)
Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
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2.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006631
PNG
(CHEMBL3235507)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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2.30E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of MAOA (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of MAOB (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006642
PNG
(CHEMBL2385327)
Show SMILES CCCCC1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C16H25NO2/c1-5-6-7-14-13-11-16(19-4)15(18-3)10-12(13)8-9-17(14)2/h10-11,14H,5-9H2,1-4H3
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3.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006632
PNG
(CHEMBL3235508)
Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1
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3.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006629
PNG
(CHEMBL3235505)
Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006631
PNG
(CHEMBL3235507)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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3.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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4.67E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-serotonin from human SERT expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006630
PNG
(CHEMBL3235506)
Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
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5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006629
PNG
(CHEMBL3235505)
Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006633
PNG
(CHEMBL3235509)
Show SMILES COc1cc2CCN3CCCC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006628
PNG
(CHEMBL3235504)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006636
PNG
(CHEMBL3235512)
Show SMILES COc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006635
PNG
(CHEMBL3235511)
Show SMILES COc1cc2C3CCCN3CCc2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006636
PNG
(CHEMBL3235512)
Show SMILES COc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006644
PNG
(CHEMBL3235517)
Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006635
PNG
(CHEMBL3235511)
Show SMILES COc1cc2C3CCCN3CCc2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006628
PNG
(CHEMBL3235504)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006630
PNG
(CHEMBL3235506)
Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006628
PNG
(CHEMBL3235504)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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1.29E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from human NET expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006643
PNG
(CHEMBL3235516)
Show SMILES COc1cc2CCN(C)C(C3CCCCC3)c2cc1OC
Show InChI InChI=1S/C18H27NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h11-13,18H,4-10H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006646
PNG
(CHEMBL3235519)
Show SMILES COc1ccc(cc1OC)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006641
PNG
(CHEMBL3235515)
Show SMILES CCC1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H21NO2/c1-5-12-11-9-14(17-4)13(16-3)8-10(11)6-7-15(12)2/h8-9,12H,5-7H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006633
PNG
(CHEMBL3235509)
Show SMILES COc1cc2CCN3CCCC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006645
PNG
(CHEMBL3235518)
Show SMILES COc1cccc(c1)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C19H23NO3/c1-20-9-8-13-11-17(22-3)18(23-4)12-16(13)19(20)14-6-5-7-15(10-14)21-2/h5-7,10-12,19H,8-9H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006635
PNG
(CHEMBL3235511)
Show SMILES COc1cc2C3CCCN3CCc2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from human DAT expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006632
PNG
(CHEMBL3235508)
Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006630
PNG
(CHEMBL3235506)
Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006631
PNG
(CHEMBL3235507)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006629
PNG
(CHEMBL3235505)
Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006636
PNG
(CHEMBL3235512)
Show SMILES COc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha-4/beta-2


(Mus musculus)
BDBM50006628
PNG
(CHEMBL3235504)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006633
PNG
(CHEMBL3235509)
Show SMILES COc1cc2CCN3CCCC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006631
PNG
(CHEMBL3235507)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006629
PNG
(CHEMBL3235505)
Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006630
PNG
(CHEMBL3235506)
Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006632
PNG
(CHEMBL3235508)
Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006628
PNG
(CHEMBL3235504)
Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r|
Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006635
PNG
(CHEMBL3235511)
Show SMILES COc1cc2C3CCCN3CCc2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006634
PNG
(CHEMBL3235510)
Show SMILES C1CC2N(C1)CCc1cc3OCOc3cc21
Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006633
PNG
(CHEMBL3235509)
Show SMILES COc1cc2CCN3CCCC3c2cc1OC
Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006646
PNG
(CHEMBL3235519)
Show SMILES COc1ccc(cc1OC)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006635
PNG
(CHEMBL3235511)
Show SMILES COc1cc2C3CCCN3CCc2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006642
PNG
(CHEMBL2385327)
Show SMILES CCCCC1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C16H25NO2/c1-5-6-7-14-13-11-16(19-4)15(18-3)10-12(13)8-9-17(14)2/h10-11,14H,5-9H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006644
PNG
(CHEMBL3235517)
Show SMILES COc1cc2CCN(C)C(c3ccccc3)c2cc1OC
Show InChI InChI=1S/C18H21NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h4-8,11-12,18H,9-10H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006645
PNG
(CHEMBL3235518)
Show SMILES COc1cccc(c1)C1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C19H23NO3/c1-20-9-8-13-11-17(22-3)18(23-4)12-16(13)19(20)14-6-5-7-15(10-14)21-2/h5-7,10-12,19H,8-9H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006643
PNG
(CHEMBL3235516)
Show SMILES COc1cc2CCN(C)C(C3CCCCC3)c2cc1OC
Show InChI InChI=1S/C18H27NO2/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13/h11-13,18H,4-10H2,1-3H3
PDB
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KEGG

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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006641
PNG
(CHEMBL3235515)
Show SMILES CCC1N(C)CCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C14H21NO2/c1-5-12-11-9-14(17-4)13(16-3)8-10(11)6-7-15(12)2/h8-9,12H,5-7H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006636
PNG
(CHEMBL3235512)
Show SMILES COc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006637
PNG
(CHEMBL3235513)
Show SMILES Br.Oc1cc2CCN3CCCC3c2cc1O
Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%