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Compile Data Set for Download or QSAR

Found 433 hits with Last Name = 'zeng' and Initial = 'f'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50241199
PNG
((Z)-2-[18F]fluoroethyl 3-(4-(2-iodovinyl)phenyl)-8...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
Show InChI InChI=1S/C18H21FINO2/c19-8-10-23-18(22)17-15(11-14-5-6-16(17)21-14)13-3-1-12(2-4-13)7-9-20/h1-4,7,9,14-17,21H,5-6,8,10-11H2/b9-7-
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0.0800n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50189573
PNG
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)
Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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0.0900n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50200323
PNG
(2beta-carbomethoxy-3beta-(3'-((Z)-2-bromoethenyl)p...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\Br)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
Show InChI InChI=1S/C17H20BrNO2/c1-21-17(20)16-14(10-13-5-6-15(16)19-13)12-4-2-3-11(9-12)7-8-18/h2-4,7-9,13-16,19H,5-6,10H2,1H3/b8-7+/t13?,14-,15?,16+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT


J Med Chem 49: 6760-7 (2006)


Article DOI: 10.1021/jm060641q
BindingDB Entry DOI: 10.7270/Q218365J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50200322
PNG
(2beta-carbomethoxy-3beta-(3'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1c1cccc(\C=C\I)c1)N2 |TLB:11:10:20:7.6,THB:2:4:20:7.6|
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-5-6-15(16)19-13)12-4-2-3-11(9-12)7-8-18/h2-4,7-9,13-16,19H,5-6,10H2,1H3/b8-7+/t13?,14-,15?,16+/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT


J Med Chem 49: 6760-7 (2006)


Article DOI: 10.1021/jm060641q
BindingDB Entry DOI: 10.7270/Q218365J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50247065
PNG
(2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-iodo...)
Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
Show InChI InChI=1S/C19H23FINO2/c20-8-2-10-24-19(23)18-16(12-15-5-6-17(18)22-15)14-4-1-3-13(11-14)7-9-21/h1,3-4,7,9,11,15-18,22H,2,5-6,8,10,12H2/b9-7-
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0.260n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50189572
PNG
(3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....)
Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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0.280n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50160248
PNG
((2S,3S)-2-[alpha-(2-Methylphenylthio)phenylmethyl]...)
Show SMILES Cc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NOS/c1-14-7-5-6-10-17(14)21-18(15-8-3-2-4-9-15)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50247066
PNG
(2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-bmor...)
Show SMILES FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:14:13:23:10.9,THB:5:7:23:10.9|
Show InChI InChI=1S/C19H23BrFNO2/c20-8-7-13-3-1-4-14(11-13)16-12-15-5-6-17(22-15)18(16)19(23)24-10-2-9-21/h1,3-4,7-8,11,15-18,22H,2,5-6,9-10,12H2/b8-7-
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0.330n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50247029
PNG
(2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-
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0.330n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50247028
PNG
(2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-iodoe...)
Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/I)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8|
Show InChI InChI=1S/C18H21FINO2/c19-7-9-23-18(22)17-15(11-14-4-5-16(17)21-14)13-3-1-2-12(10-13)6-8-20/h1-3,6,8,10,14-17,21H,4-5,7,9,11H2/b8-6-
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0.430n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells


J Med Chem 51: 7788-99 (2008)


Article DOI: 10.1021/jm800781a
BindingDB Entry DOI: 10.7270/Q21C1WRQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50160246
PNG
((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...)
Show SMILES COc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50189574
PNG
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)
Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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0.820n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50199005
PNG
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)
Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50199005
PNG
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)
Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
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0.950n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50373031
PNG
(CHEMBL411263)
Show SMILES FCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1
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1n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50254209
PNG
((2S,3S)-2-[alpha-(2-Methylphenoxy)phenylmethyl]mor...)
Show SMILES Cc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C18H21NO2/c1-14-7-5-6-10-16(14)21-18(15-8-3-2-4-9-15)17-13-19-11-12-20-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1
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1.02n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50370475
PNG
(S,S-REBOXETINE)
Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m1/s1
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1.04n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50373028
PNG
(CHEMBL411262)
Show SMILES FCCCOc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1
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1.21n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50373029
PNG
(CHEMBL272002)
Show SMILES COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H21NO4/c1-22-19(21)15-9-5-6-10-16(15)24-18(14-7-3-2-4-8-14)17-13-20-11-12-23-17/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1
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1.32n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50373030
PNG
(CHEMBL270099)
Show SMILES COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H21NO3S/c1-22-19(21)15-9-5-6-10-17(15)24-18(14-7-3-2-4-8-14)16-13-20-11-12-23-16/h2-10,16,18,20H,11-13H2,1H3/t16-,18-/m0/s1
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1.35n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50210954
PNG
((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1
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1.78n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50210953
PNG
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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1.86n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50210955
PNG
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
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1.98n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50373032
PNG
(CHEMBL272003)
Show SMILES CSc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-22-17-10-6-5-9-15(17)21-18(14-7-3-2-4-8-14)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
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2.06n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50210955
PNG
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
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2.25n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50210953
PNG
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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2.26n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50379185
PNG
(CHEMBL1232859)
Show SMILES N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...


Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50189571
PNG
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)
Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-
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2.94n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50189572
PNG
(3-(4-bromo-phenyl)-5-methylene-7-aza-tricyclo[5.3....)
Show SMILES Brc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18BrN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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2.94n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50254210
PNG
((2S,3S)-2-[alpha-(2-(2-Fluoroethyl)phenoxy)phenylm...)
Show SMILES FCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22FNO2/c20-11-10-15-6-4-5-9-17(15)23-19(16-7-2-1-3-8-16)18-14-21-12-13-22-18/h1-9,18-19,21H,10-14H2/t18-,19-/m0/s1
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3.14n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50210953
PNG
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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3.45n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50254211
PNG
((2S,3S)-2-[alpha-(2-(3-Fluoropropyl)phenoxy)phenyl...)
Show SMILES FCCCc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24FNO2/c21-12-6-10-16-7-4-5-11-18(16)24-20(17-8-2-1-3-9-17)19-15-22-13-14-23-19/h1-5,7-9,11,19-20,22H,6,10,12-15H2/t19-,20-/m0/s1
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3.68n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET receptor expressed in HEK293 cells


J Med Chem 52: 62-73 (2009)


Article DOI: 10.1021/jm800817h
BindingDB Entry DOI: 10.7270/Q2CN74TN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50210955
PNG
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1
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4.16n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50189569
PNG
(CHEMBL215236 | [3-(4-chloro-phenyl)-7-aza-tricyclo...)
Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Cl)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Show InChI InChI=1S/C18H20ClNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-
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4.54n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50210951
PNG
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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4.67n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50189574
PNG
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)
Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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4.84n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50210952
PNG
((1R,2S,3R,5R)-methyl 3-p-tolyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13+,14-,15+/m1/s1
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4.88n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50189571
PNG
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)
Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-
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5.63n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50189573
PNG
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)
Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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5.87n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50210954
PNG
((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1
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6.42n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50189570
PNG
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)
Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3
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7.77n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50185057
PNG
(CHEMBL207423 | [(1S,2R,3R,4S,5S,6R)-3-[[(2S)-2,3-d...)
Show SMILES CCCC(=O)OC[C@@H](COOOP(O)(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCC
Show InChI InChI=1S/C17H32O18P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-34-35-37(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-36(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13+,14-,15+,16-,17+/m0/s1
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7.80n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue


Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50189573
PNG
(3-(4-iodo-phenyl)-5-methylene-7-aza-tricyclo[5.3.0...)
Show SMILES Ic1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18IN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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8.48n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50210951
PNG
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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9.04n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50160246
PNG
((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...)
Show SMILES COc1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1
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9.69n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem 16: 783-93 (2008)


Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50210951
PNG
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6|
Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1
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10.1n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50122787
PNG
(2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyr...)
Show SMILES CN(C)c1ccc(cc1)-c1cn2cc(I)ccc2n1
Show InChI InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
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10.3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]IMPY from beta amyloid in human AD cortical tissue


Bioorg Med Chem Lett 16: 3015-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.055
BindingDB Entry DOI: 10.7270/Q20P0ZKQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50210952
PNG
((1R,2S,3R,5R)-methyl 3-p-tolyl-8-aza-bicyclo[3.2.1...)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6|
Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13+,14-,15+/m1/s1
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11.5n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 3044-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50189574
PNG
(3-(4-chloro-phenyl)-5-methylene-7-aza-tricyclo[5.3...)
Show SMILES Clc1ccc(cc1)C1CC2CCC3C1C(=C)CN23 |TLB:11:12:14.16:7.9.8,THB:14:13:17:11.10,16:17:11.10:13.7.8,4:7:17:11.10|
Show InChI InChI=1S/C16H18ClN/c1-10-9-18-13-6-7-15(18)16(10)14(8-13)11-2-4-12(17)5-3-11/h2-5,13-16H,1,6-9H2
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12.3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50189571
PNG
(CHEMBL383873 | [3-(4-bromo-phenyl)-7-aza-tricyclo[...)
Show SMILES COC(=O)\C=C1\CN2C3CCC2C1C(C3)c1ccc(Br)cc1 |TLB:5:12:7:10.9,THB:6:7:10.9:12.13.14,10:11:5.6:13.8.14|
Show InChI InChI=1S/C18H20BrNO2/c1-22-17(21)8-12-10-20-14-6-7-16(20)18(12)15(9-14)11-2-4-13(19)5-3-11/h2-5,8,14-16,18H,6-7,9-10H2,1H3/b12-8-
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12.5n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET transfected in HEK293 cells


Bioorg Med Chem Lett 16: 4661-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.098
BindingDB Entry DOI: 10.7270/Q22R3R93
More data for this
Ligand-Target Pair
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