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Compile Data Set for Download or QSAR

Found 2411 hits of ki for UniProtKB: P23975   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50459923
PNG
(CHEMBL4228464)
Show SMILES [H][C@]12CC[C@](C1)([C@@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12+,15-/m1/s1
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 0.0794n/an/an/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to human NET

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM35226
PNG
((S,S)-reboxetine | Reboxetine | Vestra)
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-/m0/s1
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 0.300 -13.5n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...

Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
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 noradrenaline transporter


(Homo sapiens (Human))		BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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 0.460n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


BindingDB Entry DOI: 10.7270/Q25Q4TMX
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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 0.490n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Invitro competitive binding versus [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)

J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388637
PNG
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
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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 0.600 -13.1n/an/an/an/an/a7.437



Wyeth Research



Assay Description
Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...

Bioorg Med Chem 17: 7802-15 (2009)


Article DOI: 10.1016/j.bmc.2009.09.023
BindingDB Entry DOI: 10.7270/Q26Q1VK2
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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 0.630n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388467
PNG
(US9944618, Compound ID No. 1)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H26N2O2/c1-24-15-21(20-13-12-17-8-6-7-11-19(17)14-20)23(27-16-22(26)25-2)18-9-4-3-5-10-18/h3-14,21,23-24H,15-16H2,1-2H3,(H,25,26)/t21-,23-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
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 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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 0.800n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET

J Med Chem 53: 5549-57 (2010)


Article DOI: 10.1021/jm100269c
BindingDB Entry DOI: 10.7270/Q2KK9CRK
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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 0.830n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50118272
PNG
(5-(4-Chloro-phenyl)-9-fluoro-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2c1cccc2F)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H12ClFN2O/c17-11-6-4-10(5-7-11)16(21)12-2-1-3-13(18)14(12)15-19-8-9-20(15)16/h1-7,21H,8-9H2
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 0.900n/an/an/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK cells

J Med Chem 45: 4097-109 (2002)


BindingDB Entry DOI: 10.7270/Q2MC90R8
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))		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))		BDBM388468
PNG
(US9944618, Compound ID No. 2 | US9944618, Compound...)
Show SMILES CNCC(Cc1ccccc1CO)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H23NO/c1-22-14-21(13-18-8-4-5-9-20(18)15-23)19-11-10-16-6-2-3-7-17(16)12-19/h2-12,21-23H,13-15H2,1H3
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 1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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 1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50274951
PNG
(5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole | C...)
Show SMILES Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3
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 1n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin)

Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
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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 1n/an/an/an/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity at NET

Bioorg Med Chem 15: 616-25 (2006)


Article DOI: 10.1016/j.bmc.2006.10.065
BindingDB Entry DOI: 10.7270/Q22B8XPV
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))		BDBM172721
PNG
(US9096515, 21a | US9296681, 21a)
Show SMILES CCOC(=O)NCCNC(CC(C)C)C1(CCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H30Cl2N2O2/c1-4-26-19(25)24-11-10-23-18(12-14(2)3)20(8-5-9-20)15-6-7-16(21)17(22)13-15/h6-7,13-14,18,23H,4-5,8-12H2,1-3H3,(H,24,25)
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US Patent
 1n/an/an/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, INC.

US Patent


Assay Description
The monoamine transporters inhibitory activities of selected compounds cycloalkylmethylamine derivatives comprising Formula (I) are reported herein. ...

US Patent US9096515 (2015)


BindingDB Entry DOI: 10.7270/Q2Z60MTK
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))		BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
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
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 1.10n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human norepinephrin transporter in human embryonic kidney cell line by using [3H]-ni...

J Med Chem 47: 1122-35 (2004)


Article DOI: 10.1021/jm030384e
BindingDB Entry DOI: 10.7270/Q2154GG7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
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 1.17n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


Article DOI: 10.1016/j.biopsych.2003.07.006
BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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US Patent
 1.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...

US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1S/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
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 1.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...

US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
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))		BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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US Patent
 1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388469
PNG
(US9944618, Compound ID No. 3)
Show SMILES CNC[C@@H]([C@H](OCC(N)=O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H24N2O2/c1-24-14-20(19-12-11-16-7-5-6-10-18(16)13-19)22(26-15-21(23)25)17-8-3-2-4-9-17/h2-13,20,22,24H,14-15H2,1H3,(H2,23,25)/t20-,22-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
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))		BDBM50006774
PNG
((2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...)
Show SMILES COC(=O)[C@@H]1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7|
Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15+/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro competitive binding versus [3H]- nisoxatine in murine kidney cells transfected with cDNA for human norepinephrine transporter (NET)

J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388473
PNG
(US9944618, Compound ID No. 7)
Show SMILES CNC[C@@H]([C@@H](O)c1ccncc1Cl)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C19H19ClN2O/c1-21-11-17(19(23)16-8-9-22-12-18(16)20)15-7-6-13-4-2-3-5-14(13)10-15/h2-10,12,17,19,21,23H,11H2,1H3/t17-,19+/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388470
PNG
(US9944618, Compound ID No. 4)
Show SMILES CN1CO[C@@H]([C@H](C1)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C21H21NO/c1-22-14-20(21(23-15-22)17-8-3-2-4-9-17)19-12-11-16-7-5-6-10-18(16)13-19/h2-13,20-21H,14-15H2,1H3/t20-,21-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388471
PNG
(US9944618, Compound ID No. 5)
Show SMILES CNC[C@@H](Cc1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21N/c1-21-15-20(13-16-7-3-2-4-8-16)19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20-21H,13,15H2,1H3/t20-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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 1.40n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Invitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)

J Med Chem 46: 925-35 (2003)


Article DOI: 10.1021/jm0100180
BindingDB Entry DOI: 10.7270/Q2W66K4V
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50459914
PNG
(CHEMBL4227688)
Show SMILES [H][C@]12CC[C@](C1)([C@H](COC)CN2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H19Cl2NO/c1-19-9-11-8-18-12-4-5-15(11,7-12)10-2-3-13(16)14(17)6-10/h2-3,6,11-12,18H,4-5,7-9H2,1H3/t11-,12-,15+/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to human NET

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1S/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
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 1.40n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...

US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388472
PNG
(US9944618, Compound ID No. 6)
Show SMILES CCNC(=O)CO[C@@H]([C@H](CNC)c1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C24H28N2O2/c1-3-26-23(27)17-28-24(19-10-5-4-6-11-19)22(16-25-2)21-14-13-18-9-7-8-12-20(18)15-21/h4-15,22,24-25H,3,16-17H2,1-2H3,(H,26,27)/t22-,24-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50183151
PNG
(CHEMBL208251 | N-(2-chlorobenzyl)-N-isobutylpiperi...)
Show SMILES CC(C)CN(Cc1ccccc1Cl)C1CCNCC1
Show InChI InChI=1S/C16H25ClN2/c1-13(2)11-19(15-7-9-18-10-8-15)12-14-5-3-4-6-16(14)17/h3-6,13,15,18H,7-12H2,1-2H3
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 1.40n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET

Bioorg Med Chem Lett 16: 2714-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.008
BindingDB Entry DOI: 10.7270/Q2SF2VR6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388474
PNG
(US9944618, Compound ID No. 8)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NC1CCC1)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H30N2O2/c1-27-17-24(22-15-14-19-8-5-6-11-21(19)16-22)26(20-9-3-2-4-10-20)30-18-25(29)28-23-12-7-13-23/h2-6,8-11,14-16,23-24,26-27H,7,12-13,17-18H2,1H3,(H,28,29)/t24-,26-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50176062
PNG
(3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-...)
Show SMILES CNCCCC1c2ccccc2C=Cc2ccccc12 |c:13|
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
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 1.41n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




Eur J Pharmacol 340: 249-58 (1997)


Article DOI: 10.1016/s0014-2999(97)01393-9
BindingDB Entry DOI: 10.7270/Q2V69H3D
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES [#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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 1.49n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




Biol Psychiatry 55: 320-2 (2004)


Article DOI: 10.1016/j.biopsych.2003.07.006
BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388476
PNG
(US9944618, Compound ID No. 10)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C16H17Cl2NO/c1-19-10-13(12-7-8-14(17)15(18)9-12)16(20)11-5-3-2-4-6-11/h2-9,13,16,19-20H,10H2,1H3/t13-,16-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388637
PNG
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388475
PNG
(US9944618, Compound ID No. 9)
Show SMILES CNC[C@@H]([C@H](F)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H20FN/c1-22-14-19(20(21)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-20,22H,14H2,1H3/t19-,20-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388637
PNG
(AZD1858 MCJ001- SS | US9944618, Compound ID No. 17...)
Show SMILES CNC[C@@H]([C@H](O)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to human NET expressed in HEK293 cells after 60 mins in presence of [3H]imipramine by liquid scintillation counting

J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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 1.60n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells

J Med Chem 47: 5258-64 (2004)


Article DOI: 10.1021/jm049917p
BindingDB Entry DOI: 10.7270/Q2QJ7GRZ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM388480
PNG
(US9944618, Compound ID No. 14)
Show SMILES CNC[C@@H]([C@H](OCC(=O)NCCO)c1ccccc1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C24H28N2O3/c1-25-16-22(21-12-11-18-7-5-6-10-20(18)15-21)24(19-8-3-2-4-9-19)29-17-23(28)26-13-14-27/h2-12,15,22,24-25,27H,13-14,16-17H2,1H3,(H,26,28)/t22-,24-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells,...

Bioorg Med Chem Lett 19: 1164-7 (2009)


BindingDB Entry DOI: 10.7270/Q26D5WBR
More data for this
Ligand-Target Pair
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