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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'kim' and Initial = 'cy'   
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 noradrenaline transporter


(Homo sapiens (human))
BDBM50307460
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13/h4-10,17-18,23,25H,11-12H2,1-3H3/t17-,18+/s2
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n/an/a 1.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/s2
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n/an/a 1.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307469
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(5-me...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(C)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3/t18-,19+/s2
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n/an/a 2.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307457
PNG
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/s2
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n/an/a 2.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307459
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1ccccc1 |r|
Show InChI InChI=1/C20H25FN2O/c1-20(2)13-23(19-15(20)10-7-11-16(19)21)18(17(24)12-22-3)14-8-5-4-6-9-14/h4-11,17-18,22,24H,12-13H2,1-3H3/t17-,18+/s2
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n/an/a 2.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50307470
PNG
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/s2
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n/an/a 2.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/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
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5029-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.053
BindingDB Entry DOI: 10.7270/Q2CC10SH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 3.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307466
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-[(3R)...)
Show SMILES CNC[C@@H](O)[C@@H](N1C[C@H](C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13-,18+,19-/s2
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n/an/a 3.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300525
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1cc(C)c2ccccc12 |r|
Show InChI InChI=1/C19H21FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,12,18-19,21,23H,11H2,1-2H3/t18-,19+/s2
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307458
PNG
((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(17-7-5-4-6-16(17)20)19(18(25)11-23-3)13-8-14(21)10-15(22)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/s2
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n/an/a 4.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307462
PNG
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-1-(3-fluorop...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3/t17-,18+/s2
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n/an/a 4.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50307469
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(5-me...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(C)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C19H23FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-7,10-11,18-19,21,23H,8-9,12H2,1-2H3/t18-,19+/s2
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n/an/a 5.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307460
PNG
((1S,2R)-1-(7-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(19-15(20)8-5-9-16(19)22)18(17(25)11-23-3)13-6-4-7-14(21)10-13/h4-10,17-18,23,25H,11-12H2,1-3H3/t17-,18+/s2
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n/an/a 5.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307476
PNG
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1/C20H26N2O/c1-20(2)14-22(17-12-8-7-11-16(17)20)19(18(23)13-21-3)15-9-5-4-6-10-15/h4-12,18-19,21,23H,13-14H2,1-3H3/t18-,19+/s2
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n/an/a 5.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307464
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-(3-me...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13?,18-,19+/s2
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n/an/a 6.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307457
PNG
((1S,2R)-1-(3,3-Dimethyl-2,3-dihydro-1H-indol-1-yl)...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H25FN2O/c1-20(2)13-23(17-10-5-4-9-16(17)20)19(18(24)12-22-3)14-7-6-8-15(21)11-14/h4-11,18-19,22,24H,12-13H2,1-3H3/t18-,19+/s2
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n/an/a 6.30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307458
PNG
((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(17-7-5-4-6-16(17)20)19(18(25)11-23-3)13-8-14(21)10-15(22)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/s2
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n/an/a 6.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300513
PNG
((1S,2R)-1-(7-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(F)c12 |r|
Show InChI InChI=1/C18H18F2N2O/c1-21-11-16(23)18(13-5-2-6-14(19)10-13)22-9-8-12-4-3-7-15(20)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/s2
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307470
PNG
((1S,2R)-1-(5-Chloro-2,3-dihydro-1H-indol-1-yl)-1-(...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(Cl)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C18H20ClFN2O/c1-21-11-17(23)18(13-3-2-4-15(20)10-13)22-8-7-12-9-14(19)5-6-16(12)22/h2-6,9-10,17-18,21,23H,7-8,11H2,1H3/t17-,18+/s2
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n/an/a 7.60n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307465
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-[(3S)...)
Show SMILES CNC[C@@H](O)[C@@H](N1C[C@@H](C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C19H23FN2O/c1-13-12-22(17-9-4-3-8-16(13)17)19(18(23)11-21-2)14-6-5-7-15(20)10-14/h3-10,13,18-19,21,23H,11-12H2,1-2H3/t13-,18-,19+/s2
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n/an/a 8.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of seratonin uptake at human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5029-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.053
BindingDB Entry DOI: 10.7270/Q2CC10SH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307461
PNG
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-3-(methylami...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1ccccc1 |r|
Show InChI InChI=1/C18H22N2O/c1-19-13-17(21)18(15-8-3-2-4-9-15)20-12-11-14-7-5-6-10-16(14)20/h2-10,17-19,21H,11-13H2,1H3/t17-,18+/s2
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n/an/a 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300524
PNG
((1S,2R)-1-(3-ethyl-1H-indol-1-yl)-1-(3-fluoropheny...)
Show SMILES CCc1cn([C@H]([C@H](O)CNC)c2cccc(F)c2)c2ccccc12 |r|
Show InChI InChI=1/C20H23FN2O/c1-3-14-13-23(18-10-5-4-9-17(14)18)20(19(24)12-22-2)15-7-6-8-16(21)11-15/h4-11,13,19-20,22,24H,3,12H2,1-2H3/t19-,20+/s2
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50301004
PNG
((+/-)-Erythro--1-(5-chloro-1H-indol-1-yl)-3-(methy...)
Show SMILES CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(Cl)ccc12 |r|
Show InChI InChI=1/C18H19ClN2O/c1-20-12-17(22)18(13-5-3-2-4-6-13)21-10-9-14-11-15(19)7-8-16(14)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18-/s2
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of seratonin uptake at human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5029-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.053
BindingDB Entry DOI: 10.7270/Q2CC10SH
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300533
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(1H-indol-1-yl)-3-(me...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccccc12 |r|
Show InChI InChI=1/C18H19FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/s2
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50259340
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r|
Show InChI InChI=1/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/s2
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n/an/a 12n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307467
PNG
((1S,2R)-1-(3-Ethyl-2,3-dihydro-1H-indol-1-yl)-1-(3...)
Show SMILES CCC1CN([C@H]([C@H](O)CNC)c2cccc(F)c2)c2ccccc12 |r|
Show InChI InChI=1/C20H25FN2O/c1-3-14-13-23(18-10-5-4-9-17(14)18)20(19(24)12-22-2)15-7-6-8-16(21)11-15/h4-11,14,19-20,22,24H,3,12-13H2,1-2H3/t14?,19-,20+/s2
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50300507
PNG
((R)-3-(3-fluorophenyl)-3-(1H-indol-1-yl)-N-methylp...)
Show SMILES CNCC[C@H](c1cccc(F)c1)n1ccc2ccccc12 |r|
Show InChI InChI=1/C18H19FN2/c1-20-11-9-18(15-6-4-7-16(19)13-15)21-12-10-14-5-2-3-8-17(14)21/h2-8,10,12-13,18,20H,9,11H2,1H3/t18-/s2
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in JAR cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300527
PNG
((1S,2R)-1-(3-bromophenyl)-1-(1H-indol-1-yl)-3-(met...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(Br)c1)n1ccc2ccccc12 |r|
Show InChI InChI=1/C18H19BrN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/s2
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300519
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(4-methyl-1H-indol-1-...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(C)cccc12 |r|
Show InChI InChI=1/C19H21FN2O/c1-13-5-3-8-17-16(13)9-10-22(17)19(18(23)12-21-2)14-6-4-7-15(20)11-14/h3-11,18-19,21,23H,12H2,1-2H3/t18-,19+/s2
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307471
PNG
((1S,2R)-1-[5-(Benzyloxy)-2,3-dihydro-1H-indol-1-yl...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2cc(OCc3ccccc3)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C25H27FN2O2/c1-27-16-24(29)25(20-8-5-9-21(26)14-20)28-13-12-19-15-22(10-11-23(19)28)30-17-18-6-3-2-4-7-18/h2-11,14-15,24-25,27,29H,12-13,16-17H2,1H3/t24-,25+/s2
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n/an/a 15n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300516
PNG
((1S,2R)-1-(4-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2c(F)cccc12 |r|
Show InChI InChI=1/C18H18F2N2O/c1-21-11-17(23)18(12-4-2-5-13(19)10-12)22-9-8-14-15(20)6-3-7-16(14)22/h2-10,17-18,21,23H,11H2,1H3/t17-,18+/s2
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300536
PNG
((1S,2R)-1-(3-chlorophenyl)-1-(1H-indol-1-yl)-3-(me...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(Cl)c1)n1ccc2ccccc12 |r|
Show InChI InChI=1/C18H19ClN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/s2
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n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307478
PNG
((1S,2R)-1-(6-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccc(F)cc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(17-10-15(22)7-8-16(17)20)19(18(25)11-23-3)13-5-4-6-14(21)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/s2
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n/an/a 17n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300517
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(7-methyl-1H-indol-1-...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(C)c12 |r|
Show InChI InChI=1/C19H21FN2O/c1-13-5-3-6-14-9-10-22(18(13)14)19(17(23)12-21-2)15-7-4-8-16(20)11-15/h3-11,17,19,21,23H,12H2,1-2H3/t17-,19+/s2
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n/an/a 18n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307477
PNG
((1S,2R)-1-(5-Fluoro-3,3-dimethyl-2,3-dihydro-1H-in...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C)(C)c2cc(F)ccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C20H24F2N2O/c1-20(2)12-24(17-8-7-15(22)10-16(17)20)19(18(25)11-23-3)13-5-4-6-14(21)9-13/h4-10,18-19,23,25H,11-12H2,1-3H3/t18-,19+/s2
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300514
PNG
((1S,2R)-1-(6-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccc(F)cc12 |r|
Show InChI InChI=1/C18H18F2N2O/c1-21-11-17(23)18(13-3-2-4-14(19)9-13)22-8-7-12-5-6-15(20)10-16(12)22/h2-10,17-18,21,23H,11H2,1H3/t17-,18+/s2
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50307462
PNG
((1S,2R)-1-(2,3-Dihydro-1H-indol-1-yl)-1-(3-fluorop...)
Show SMILES CNC[C@@H](O)[C@@H](N1CCc2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C18H21FN2O/c1-20-12-17(22)18(14-6-4-7-15(19)11-14)21-10-9-13-5-2-3-8-16(13)21/h2-8,11,17-18,20,22H,9-10,12H2,1H3/t17-,18+/s2
PDB

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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307474
PNG
((1S,2R)-1-(3-Fluorophenyl)-3-(methylamino)-1-spiro...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC2(CCCC2)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C22H27FN2O/c1-24-14-20(26)21(16-7-6-8-17(23)13-16)25-15-22(11-4-5-12-22)18-9-2-3-10-19(18)25/h2-3,6-10,13,20-21,24,26H,4-5,11-12,14-15H2,1H3/t20-,21+/s2
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300520
PNG
((1S,2R)-1-(7-chloro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Cl)c12 |r|
Show InChI InChI=1/C18H18ClFN2O/c1-21-11-16(23)18(13-5-2-6-14(20)10-13)22-9-8-12-4-3-7-15(19)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/s2
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300518
PNG
((1S,2R)-1-(3-fluorophenyl)-1-(5-methyl-1H-indol-1-...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(C)ccc12 |r|
Show InChI InChI=1/C19H21FN2O/c1-13-6-7-17-14(10-13)8-9-22(17)19(18(23)12-21-2)15-4-3-5-16(20)11-15/h3-11,18-19,21,23H,12H2,1-2H3/t18-,19+/s2
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300509
PNG
((1S,2R)-1-(7-bromo-1H-indol-1-yl)-1-(3-fluoropheny...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c12 |r|
Show InChI InChI=1/C18H18BrFN2O/c1-21-11-16(23)18(13-5-2-6-14(20)10-13)22-9-8-12-4-3-7-15(19)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/s2
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n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50300515
PNG
((1S,2R)-1-(5-fluoro-1H-indol-1-yl)-1-(3-fluorophen...)
Show SMILES CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cc(F)ccc12 |r|
Show InChI InChI=1/C18H18F2N2O/c1-21-11-17(23)18(13-3-2-4-14(19)10-13)22-8-7-12-9-15(20)5-6-16(12)22/h2-10,17-18,21,23H,11H2,1H3/t17-,18+/s2
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n/an/a 22n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 5807-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.050
BindingDB Entry DOI: 10.7270/Q2H70FV8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50307468
PNG
((1S,2R)-1-(3-Fluorophenyl)-1-(3-isopropyl-2,3-dihy...)
Show SMILES CNC[C@@H](O)[C@@H](N1CC(C(C)C)c2ccccc12)c1cccc(F)c1 |r|
Show InChI InChI=1/C21H27FN2O/c1-14(2)18-13-24(19-10-5-4-9-17(18)19)21(20(25)12-23-3)15-7-6-8-16(22)11-15/h4-11,14,18,20-21,23,25H,12-13H2,1-3H3/t18?,20-,21+/s2
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n/an/a 23n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair
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