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Compile Data Set for Download or QSAR

Found 852 hits with Last Name = 'yohannes' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50393244
PNG
(CHEMBL2151438)
Show SMILES C1c2cc(cnc2O[C@]11CN2CCC1CC2)-c1ccoc1
Show InChI InChI=1S/C17H18N2O2/c1-4-19-5-2-15(1)17(11-19)8-13-7-14(9-18-16(13)21-17)12-3-6-20-10-12/h3,6-7,9-10,15H,1-2,4-5,8,11H2/t17-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAchR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50397944
PNG
(CHEMBL2177512)
Show SMILES C1NCC2CC1CN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2
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0.100n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398821
PNG
(CHEMBL2177537)
Show SMILES C1NC[C@H]2C[C@@H]1CC(=C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50393252
PNG
(CHEMBL2151570)
Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]A-585539 from alpha7 nAChR human cortex


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398849
PNG
(CHEMBL2177553)
Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398820
PNG
(CHEMBL2177538)
Show SMILES C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393252
PNG
(CHEMBL2151570)
Show SMILES C1CN2CCC1[C@H](C2)Oc1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H20N4O/c1-2-16-15(5-8-20-16)11-14(1)17-3-4-19(22-21-17)24-18-12-23-9-6-13(18)7-10-23/h1-5,8,11,13,18,20H,6-7,9-10,12H2/t18-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]A-585539 from alpha7 nAChR rat cortex


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50437479
PNG
(CHEMBL2409491)
Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C12H20N2O/c1-8-2-11(8)12(15)14-6-9-3-10(7-14)5-13-4-9/h8-11,13H,2-7H2,1H3/t8-,9?,10?,11+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50397944
PNG
(CHEMBL2177512)
Show SMILES C1NCC2CC1CN(C2)c1cccnc1
Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398820
PNG
(CHEMBL2177538)
Show SMILES C1NC[C@@H]2C[C@H]1CC(=C2)c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398850
PNG
(CHEMBL2177552)
Show SMILES Fc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398832
PNG
(CHEMBL2177518)
Show SMILES C1NCC2CC1CC(=C2)c1cncnc1
Show InChI InChI=1S/C12H15N3/c1-9-2-11(3-10(1)5-13-4-9)12-6-14-8-15-7-12/h2,6-10,13H,1,3-5H2
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0.200n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50393251
PNG
(CHEMBL2151569)
Show SMILES CN1CC2CN(CC2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3
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0.240n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398815
PNG
(CHEMBL2177543)
Show SMILES CC(C)Oc1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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0.270n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398841
PNG
(CHEMBL2177528)
Show SMILES Cc1ccc(cn1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398817
PNG
(CHEMBL2177541)
Show SMILES COc1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398849
PNG
(CHEMBL2177553)
Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398848
PNG
(CHEMBL2178156)
Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1
Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398847
PNG
(CHEMBL2177535)
Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398860
PNG
(CHEMBL2177549)
Show SMILES COc1cc(cnc1Cl)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C14H17ClN2O/c1-18-13-5-12(8-17-14(13)15)11-3-9-2-10(4-11)7-16-6-9/h3,5,8-10,16H,2,4,6-7H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398845
PNG
(CHEMBL2177522)
Show SMILES Fc1ccc(cn1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C13H15FN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398843
PNG
(CHEMBL2177524)
Show SMILES Clc1ccc(cn1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C13H15ClN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398830
PNG
(CHEMBL2177516)
Show SMILES Clc1ccc(nn1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C12H14ClN3/c13-12-2-1-11(15-16-12)10-4-8-3-9(5-10)7-14-6-8/h1-2,4,8-9,14H,3,5-7H2
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398852
PNG
(CHEMBL2177526)
Show SMILES COc1ccc(cn1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C14H18N2O/c1-17-14-3-2-12(9-16-14)13-5-10-4-11(6-13)8-15-7-10/h2-3,5,9-11,15H,4,6-8H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398857
PNG
(CHEMBL2177555)
Show SMILES Clc1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C13H15ClN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2
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0.400n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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0.420n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]methyllycaconitine form alpha7 nAchR in rat hippocampal membranes


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50437496
PNG
(CHEMBL3037927)
Show SMILES O=C(C1CC1)[C@@H]1C[C@@H]2CNC[C@@H]2C1
Show InChI InChI=1S/C11H17NO/c13-11(7-1-2-7)8-3-9-5-12-6-10(9)4-8/h7-10,12H,1-6H2/t8-,9-,10+
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0.5n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399780
PNG
(CHEMBL2179874)
Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398822
PNG
(CHEMBL2177514)
Show SMILES Fc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1
Show InChI InChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
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0.600n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398816
PNG
(CHEMBL2177542)
Show SMILES COc1cncc(c1)C1=CC2CC(CN(C)C2)C1
Show InChI InChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398847
PNG
(CHEMBL2177535)
Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398862
PNG
(CHEMBL2177547)
Show SMILES C(Oc1cncc(c1)C1=CC2CNCC(C2)C1)c1ccccc1
Show InChI InChI=1S/C20H22N2O/c1-2-4-15(5-3-1)14-23-20-9-19(12-22-13-20)18-7-16-6-17(8-18)11-21-10-16/h1-5,7,9,12-13,16-17,21H,6,8,10-11,14H2
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0.700n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398854
PNG
(CHEMBL2177533)
Show SMILES FC(F)(F)c1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C14H15F3N2/c15-14(16,17)13-4-12(7-19-8-13)11-2-9-1-10(3-11)6-18-5-9/h2,4,7-10,18H,1,3,5-6H2
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0.700n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398838
PNG
(CHEMBL2177545)
Show SMILES C1NCC2CC1CC(=C2)c1cncc(Oc2ccccc2)c1
Show InChI InChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
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0.700n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399779
PNG
(CHEMBL2179875)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C24H25N3OS/c28-24(22-9-8-21(29-22)18-6-2-1-3-7-18)26-23-19-10-13-27(14-11-19)20(23)15-17-5-4-12-25-16-17/h1-9,12,16,19-20,23H,10-11,13-15H2,(H,26,28)/t20-,23+/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398846
PNG
(CHEMBL2177532)
Show SMILES C1NCC2CC1CC(=C2)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2/c1-2-4-16(5-3-1)18-9-19(13-21-12-18)17-7-14-6-15(8-17)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
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0.800n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398825
PNG
(CHEMBL2178158)
Show SMILES Clc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
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0.900n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398827
PNG
(CHEMBL2178160)
Show SMILES COc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1
Show InChI InChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3
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0.900n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50399777
PNG
(CHEMBL2179877)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1
Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50161758
PNG
(2-(5-chloro-2,3-dihydrobenzo[b]furan-7-ylcarboxami...)
Show SMILES Clc1cc2CCOc2c(c1)C(=O)N[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C16H19ClN2O2/c17-12-7-11-3-6-21-15(11)13(8-12)16(20)18-14-9-19-4-1-10(14)2-5-19/h7-8,10,14H,1-6,9H2,(H,18,20)/t14-/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5HT3 receptor


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50397901
PNG
(CHEMBL2179965)
Show SMILES O=C(C1CC1)N1C[C@@H]2CN[C@H](C2)C1
Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398828
PNG
(CHEMBL2177109)
Show SMILES COc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1
Show InChI InChI=1S/C20H22N2O2/c1-23-19-4-2-3-5-20(19)24-18-9-17(12-22-13-18)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50398824
PNG
(CHEMBL2178157)
Show SMILES Clc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1
Show InChI InChI=1S/C19H19ClN2O/c20-17-2-1-3-18(8-17)23-19-7-16(11-22-12-19)15-5-13-4-14(6-15)10-21-9-13/h1-3,5,7-8,11-14,21H,4,6,9-10H2
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells


J Med Chem 55: 9929-45 (2012)


Article DOI: 10.1021/jm3011299
BindingDB Entry DOI: 10.7270/Q2474C0B
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50309873
PNG
(4-(6-Chlorooxazolo[4,5-b]pyridin-2-yl)-1,4-diazabi...)
Show SMILES Clc1cnc2nc(oc2c1)N1CCN2CCC1CC2
Show InChI InChI=1S/C13H15ClN4O/c14-9-7-11-12(15-8-9)16-13(19-11)18-6-5-17-3-1-10(18)2-4-17/h7-8,10H,1-6H2
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to human alpha7 nAChR expressed in HEK293 cells co-expressing RIC3 cDNA


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Binding affinity to alpha7 nAChR in rat hippocampal membranes


J Med Chem 54: 7943-61 (2011)


Article DOI: 10.1021/jm2007672
BindingDB Entry DOI: 10.7270/Q29P32QP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50397903
PNG
(CHEMBL2179962)
Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay


J Med Chem 55: 9181-94 (2012)


Article DOI: 10.1021/jm3006542
BindingDB Entry DOI: 10.7270/Q2W0972W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (Human))
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells


J Med Chem 55: 9793-809 (2012)


Article DOI: 10.1021/jm301048a
BindingDB Entry DOI: 10.7270/Q2J67J2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50397903
PNG
(CHEMBL2179962)
Show SMILES O=C(C1CC1)N1CC2CNCC(C2)C1
Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2
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1n/an/an/an/an/an/an/an/a



Targacept Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]Nicotine from alpha4beta2 nACHR in human SHEP1 cell membranes after 2 hrs by liquid scintillation counting analysis


Bioorg Med Chem Lett 23: 3927-34 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.058
BindingDB Entry DOI: 10.7270/Q279462S
More data for this
Ligand-Target Pair
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