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Compile Data Set for Download or QSAR

Found 4337 hits Enz. Inhib. hit(s) with Target = 'Norepinephrine transporter'   
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
Norepinephrine transporter


(RAT)
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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0.0600n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1097-102 (2002)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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PubMed
0.135n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay


J Med Chem 53: 2534-51 (2010)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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0.150n/an/an/an/an/an/an/an/a



Wyeth Laboratories, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM81946
PNG
(CAS_96850-13-4 | LU 19,005 | LU 19-005)
Show SMILES CN[C@H]1C[C@@H](c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




Citation and Details
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
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)

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
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 -56.5n/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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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0.310n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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

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
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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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0.460n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1097-102 (2002)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
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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0.470n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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0.550n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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0.551n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Synapse 32: 198-211 (1999)

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 -54.8n/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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014245
PNG
(6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]iso...)
Show SMILES C1C[C@H]2N(C1)CC(c1ccccc1)c1ccccc21
Show InChI InChI=1S/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17?,18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


Citation and Details
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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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0.640n/an/an/an/an/an/an/an/a



Wyeth Laboratories, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50021879
PNG
(6-(4-Chloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrol...)
Show SMILES Clc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2ccccc12
Show InChI InChI=1S/C18H18ClN/c19-14-9-7-13(8-10-14)17-12-20-11-3-6-18(20)16-5-2-1-4-15(16)17/h1-2,4-5,7-10,17-18H,3,6,11-12H2/t17-,18+/m0/s1
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0.680n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
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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0.690n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Bioorg Med Chem 22: 311-24 (2013)

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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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0.760n/an/an/an/an/an/an/an/a



Wyeth Laboratories, Inc.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
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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0.780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex


J Med Chem 53: 7869-73 (2010)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50021217
PNG
(CHEMBL52247 | Talsupram | [3-(3,3-Dimethyl-1-pheny...)
Show SMILES CNCCCC1(SC(C)(C)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
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0.790n/an/an/an/an/an/an/an/a



Lundbeck AIS

Curated by PDSP Ki Database




Citation and Details
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)

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




Citation and Details
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50198230
PNG
((S)-2-((S)-(2-iodophenoxy)(phenyl)methyl)morpholin...)
Show SMILES Ic1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
Show InChI InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NAT in Sprague-Dawley rat brain after 4 hrs by liquid scintillation analysis


Bioorg Med Chem Lett 19: 4996-8 (2009)

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
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


Citation and Details
More data for this
Ligand-Target Pair
Norepinephrine transporter


(MOUSE)
BDBM50014232
PNG
(6-(4-Ethynyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrro...)
Show SMILES C#Cc1ccc(cc1)C1CN2CCCC2c2ccccc12
Show InChI InChI=1S/C20H19N/c1-2-15-9-11-16(12-10-15)19-14-21-13-5-8-20(21)18-7-4-3-6-17(18)19/h1,3-4,6-7,9-12,19-20H,5,8,13-14H2
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0.940n/an/an/an/an/an/an/an/a



McNeil Pharmaceutical

Curated by ChEMBL


Assay Description
Tested in vitro for norepinephrine (NE) neuronal uptake inhibition


Citation and Details
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
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)

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
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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES CNCCC=C1c2ccccc2CCc2ccccc12
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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0.990n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




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

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. ...


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50275438
PNG
((+)-5-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-5-...)
Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2
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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)

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)

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)

More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50274918
PNG
((+)-6-(3-benzylpyrrolidin-3-yl)-1H-indole | (-)-6-...)
Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-7-6-16-8-10-21-18(16)12-17/h1-8,10,12,20-21H,9,11,13-14H2
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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)

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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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1n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Citation and Details
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)

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
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)

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
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)

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)

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




Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
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1.19n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter


J Med Chem 52: 5872-9 (2009)

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/an/an/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 ...


Citation and Details
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/an/an/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 ...


Citation and Details
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)

More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
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1.26n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Synapse 32: 198-211 (1999)

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)

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)

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)

More data for this
Ligand-Target Pair
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