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Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit beta-2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor subunit beta-2


(Homo sapiens (Human))
BDBM50336020
PNG
(CHEMBL1669092 | N,N,N-trimethyl-1-(4-styrylphenoxy...)
Show SMILES CC(COc1ccc(\C=C/c2ccccc2)cc1)[N+](C)(C)C
Show InChI InChI=1S/C20H26NO/c1-17(21(2,3)4)16-22-20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-15,17H,16H2,1-4H3/q+1/b11-10-
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3.90E+4n/an/an/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to beta2 nAChR


Bioorg Med Chem Lett 21: 940-3 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.052
BindingDB Entry DOI: 10.7270/Q2M045Q6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270397
PNG
(CHEMBL4070098)
Show SMILES [I-].[H][C@]12CCC[N+]1(C)CCc1cc3OCOc3cc21 |r|
Show InChI InChI=1S/C14H18NO2.HI/c1-15-5-2-3-12(15)11-8-14-13(16-9-17-14)7-10(11)4-6-15;/h7-8,12H,2-6,9H2,1H3;1H/q+1;/p-1/t12-,15?;/m1./s1
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n/an/a 220n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270370
PNG
(CHEMBL4101688)
Show SMILES [I-].C[N+]12CCCC1c1cc3OCOc3cc1CC2
Show InChI InChI=1S/C14H18NO2.HI/c1-15-5-2-3-12(15)11-8-14-13(16-9-17-14)7-10(11)4-6-15;/h7-8,12H,2-6,9H2,1H3;1H/q+1;/p-1
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n/an/a 520n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 580n/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/beta-4


(Mus musculus)
BDBM50270396
PNG
(CHEMBL4073773)
Show SMILES COC1CC=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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n/an/a 600n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50143313
PNG
((12S,13aS)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1 |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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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assay


ACS Med Chem Lett 5: 766-70 (2014)


Article DOI: 10.1021/ml500094c
BindingDB Entry DOI: 10.7270/Q2W95D5W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270401
PNG
(CHEMBL4064521)
Show SMILES [I-].COc1cc2CC[N+](C)(C)Cc2cc1O
Show InChI InChI=1S/C12H17NO2/c1-13(2)5-4-9-7-12(15-3)11(14)6-10(9)8-13/h6-7H,4-5,8H2,1-3H3/p+1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270364
PNG
(CHEMBL4064684)
Show SMILES [H][C@]12CCCN1CCc1cc3OCOc3cc21 |r|
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/t11-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270402
PNG
(CHEMBL4097677)
Show SMILES [I-].COc1ccc2C[N+](C)(C)CCc2c1
Show InChI InChI=1S/C12H18NO/c1-13(2)7-6-10-8-12(14-3)5-4-11(10)9-13/h4-5,8H,6-7,9H2,1-3H3/q+1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270368
PNG
(CHEMBL4082570)
Show SMILES [I-].COc1ccc2CC[N+]3(C)CCCC3c2c1
Show InChI InChI=1S/C14H20NO.HI/c1-15-8-3-4-14(15)13-10-12(16-2)6-5-11(13)7-9-15;/h5-6,10,14H,3-4,7-9H2,1-2H3;1H/q+1;/p-1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 2.30E+3n/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/beta-4


(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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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 2.60E+3n/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/beta-4


(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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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 2.90E+3n/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/beta-4


(Mus musculus)
BDBM50270372
PNG
(CHEMBL4104998)
Show SMILES [I-].COc1cc2C3CCC[N+]3(C)CCc2cc1Oc1ccccc1
Show InChI InChI=1S/C20H24NO2.HI/c1-21-11-6-9-18(21)17-14-19(22-2)20(13-15(17)10-12-21)23-16-7-4-3-5-8-16;/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3;1H/q+1;/p-1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 3.30E+3n/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)
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 4.40E+3n/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/beta-4


(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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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270371
PNG
(CHEMBL4087153)
Show SMILES [I-].COc1cc2CC[N+]3(C)CCCC3c2cc1Oc1ccccc1
Show InChI InChI=1S/C20H24NO2.HI/c1-21-11-6-9-18(21)17-14-20(23-16-7-4-3-5-8-16)19(22-2)13-15(17)10-12-21;/h3-5,7-8,13-14,18H,6,9-12H2,1-2H3;1H/q+1;/p-1
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270375
PNG
(CHEMBL4075463)
Show SMILES COc1ccc2CN(C)CCc2c1
Show InChI InChI=1S/C11H15NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7H,5-6,8H2,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270382
PNG
(CHEMBL4082090)
Show SMILES [I-].[H][C@]12CCC[N+]1(C)CCc1cc(OC)c(OC)cc21 |r|
Show InChI InChI=1S/C15H22NO2.HI/c1-16-7-4-5-13(16)12-10-15(18-3)14(17-2)9-11(12)6-8-16;/h9-10,13H,4-8H2,1-3H3;1H/q+1;/p-1/t13-,16?;/m1./s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270388
PNG
(CHEMBL4083525)
Show SMILES [I-].COc1cc2C[N+](C)(C)CCc2cc1OCc1ccccc1
Show InChI InChI=1S/C19H24NO2/c1-20(2)10-9-16-11-19(18(21-3)12-17(16)13-20)22-14-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3/q+1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270405
PNG
(CHEMBL4102579)
Show SMILES COc1ccc2CCN3CCCC3c2c1
Show InChI InChI=1S/C13H17NO/c1-15-11-5-4-10-6-8-14-7-2-3-13(14)12(10)9-11/h4-5,9,13H,2-3,6-8H2,1H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 9.20E+3n/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/beta-4


(Mus musculus)
BDBM50270407
PNG
(CHEMBL1570477)
Show SMILES [I-].COc1cc2CC[N+](C)(C)Cc2cc1OC
Show InChI InChI=1S/C13H20NO2/c1-14(2)6-5-10-7-12(15-3)13(16-4)8-11(10)9-14/h7-8H,5-6,9H2,1-4H3/q+1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270395
PNG
(CHEMBL4092845)
Show SMILES [I-].CC[N+]1(C)CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C14H22NO2.HI/c1-5-15(2)7-6-11-8-13(16-3)14(17-4)9-12(11)10-15;/h8-9H,5-7,10H2,1-4H3;1H/q+1;/p-1
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(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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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270399
PNG
(CHEMBL4073109)
Show SMILES [I-].C[N+]1(C)CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C12H16NO2/c1-13(2)4-3-9-5-11-12(15-8-14-11)6-10(9)7-13/h5-6H,3-4,7-8H2,1-2H3/q+1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 1.20E+4n/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/beta-4


(Mus musculus)
BDBM50270373
PNG
(CHEMBL4073899)
Show SMILES C1CC2N(C1)CCc1ccccc21
Show InChI InChI=1S/C12H15N/c1-2-5-11-10(4-1)7-9-13-8-3-6-12(11)13/h1-2,4-5,12H,3,6-9H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 1.60E+4n/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/beta-4


(Mus musculus)
BDBM50270362
PNG
(CHEMBL4077320)
Show SMILES [H][C@]12CCCN1CCc1cc(OC)c(OC)cc21 |r|
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/t12-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270389
PNG
(CHEMBL4061335)
Show SMILES COc1cc2CCN(C)Cc2cc1OCc1ccccc1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-15-10-17(20-2)18(11-16(15)12-19)21-13-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
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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n/an/a 2.30E+4n/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/beta-4


(Mus musculus)
BDBM50270390
PNG
(CHEMBL4062419)
Show SMILES COc1cc2CN(C)CCc2cc1OCc1ccccc1
Show InChI InChI=1S/C18H21NO2/c1-19-9-8-15-10-18(17(20-2)11-16(15)12-19)21-13-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270367
PNG
(CHEMBL4067385)
Show SMILES [I-].COc1ccc2C3CCC[N+]3(C)CCc2c1
Show InChI InChI=1S/C14H20NO.HI/c1-15-8-3-4-14(15)13-6-5-12(16-2)10-11(13)7-9-15;/h5-6,10,14H,3-4,7-9H2,1-2H3;1H/q+1;/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50497830
PNG
(CHEMBL3318890)
Show SMILES [H][C@]12C[C@H](CC=C1CCN2C)OC |r,c:5|
Show InChI InChI=1S/C10H17NO/c1-11-6-5-8-3-4-9(12-2)7-10(8)11/h3,9-10H,4-7H2,1-2H3/t9-,10-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR transfected in HEK293 cells by FLIPR membrane potential blue (FMP) assay


ACS Med Chem Lett 5: 766-70 (2014)


Article DOI: 10.1021/ml500094c
BindingDB Entry DOI: 10.7270/Q2W95D5W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270406
PNG
(CHEMBL4084130)
Show SMILES [Br-].COc1cc2CC[N+](C)(Cc3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C19H24NO2.BrH/c1-20(13-15-7-5-4-6-8-15)10-9-16-11-18(21-2)19(22-3)12-17(16)14-20;/h4-8,11-12H,9-10,13-14H2,1-3H3;1H/q+1;/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270374
PNG
(CHEMBL4099972)
Show SMILES [I-].COc1cc2CC[N+](C)(C)Cc2cc1OCc1ccccc1
Show InChI InChI=1S/C19H24NO2/c1-20(2)10-9-16-11-18(21-3)19(12-17(16)13-20)22-14-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3/q+1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270365
PNG
(CHEMBL4078302)
Show SMILES [H][C@@]12CCCN1CCc1cc3OCOc3cc21 |r|
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/t11-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270403
PNG
(CHEMBL4080088)
Show SMILES COc1cc2C3CCCN3CCc2cc1Oc1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-21-18-13-16-14(9-11-20-10-5-8-17(16)20)12-19(18)22-15-6-3-2-4-7-15/h2-4,6-7,12-13,17H,5,8-11H2,1H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270393
PNG
(CHEMBL4071054)
Show SMILES [Br-].COc1cc2CC[N+](C)(CC=C)Cc2cc1OC
Show InChI InChI=1S/C15H22NO2.BrH/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h5,9-10H,1,6-8,11H2,2-4H3;1H/q+1;/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(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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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270394
PNG
(CHEMBL4061094)
Show SMILES [I-].CCC[N+]1(C)CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C15H24NO2.HI/c1-5-7-16(2)8-6-12-9-14(17-3)15(18-4)10-13(12)11-16;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(Mus musculus)
BDBM50270369
PNG
(CHEMBL4083684)
Show SMILES [I-].COc1cc2CC[N+]3(C)CCCC3c2cc1OC
Show InChI InChI=1S/C15H22NO2.HI/c1-16-7-4-5-13(16)12-10-15(18-3)14(17-2)9-11(12)6-8-16;/h9-10,13H,4-8H2,1-3H3;1H/q+1;/p-1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ...


J Med Chem 61: 1719-1729 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01895
BindingDB Entry DOI: 10.7270/Q2668GPB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2/beta-4


(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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n/an/a 3.10E+4n/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)
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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n/an/a 3.10E+4n/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)
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 3.30E+4n/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)
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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n/an/a 5.00E+4n/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
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