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Compile Data Set for Download or QSAR

Found 4295 hits Enz. Inhib. hit(s) with Target = 'Norepinephrine transporter'   
Target
(Institution)
LigandTarget
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))
BDBM50175387
PNG
((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
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n/an/a 0.00300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of NET


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


(Homo sapiens (human))
BDBM50378146
PNG
(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
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n/an/a 0.0370n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of NET


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


(Homo sapiens (human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of NET


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


(Homo sapiens (human))
BDBM50330813
PNG
(3-[(1S,3R)-3-Dimethylaminocyclopentyl]-1H-indole-5...)
Show SMILES CN(C)[C@@H]1CC[C@@H](C1)c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-19(2)13-5-4-12(8-13)15-10-18-16-6-3-11(9-17)7-14(15)16/h3,6-7,10,12-13,18H,4-5,8H2,1-2H3/t12-,13+/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human NET


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


(Homo sapiens (human))
BDBM50098412
PNG
(CHEMBL3593400)
Show SMILES OC(=O)\C=C\C(O)=O.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C14H18Cl2N2O2.C4H4O4/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10;5-3(6)1-2-4(7)8/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1+/t11-,14-;/s2
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n/an/a 0.330n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd, 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay


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


(Homo sapiens (human))
BDBM50349794
PNG
(CHEMBL1812750)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2
Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12-,14+,15-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of NET


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


(Homo sapiens (human))
BDBM50118266
PNG
(9-Benzo[1,3]dioxol-5-yl-1,2,3,9-tetrahydro-4,9a-di...)
Show SMILES OC1(N2CCCN=C2c2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16N2O3/c21-18(12-6-7-15-16(10-12)23-11-22-15)14-5-2-1-4-13(14)17-19-8-3-9-20(17)18/h1-2,4-7,10,21H,3,8-9,11H2
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n/an/a 0.620n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)

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


(Homo sapiens (human))
BDBM50330814
PNG
(CHEMBL1275791 | [(1R,3S)-3-(5-Fluoro-1H-indol-3-yl...)
Show SMILES CN(C)[C@H]1CC[C@H](C1)c1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C15H19FN2/c1-18(2)12-5-3-10(7-12)14-9-17-15-6-4-11(16)8-13(14)15/h4,6,8-10,12,17H,3,5,7H2,1-2H3/t10-,12+/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human NET


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


(Homo sapiens (human))
BDBM50098413
PNG
(CHEMBL3593399)
Show SMILES Cl.CN(C)C(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C14H18Cl2N2O2.ClH/c1-18(2)14(19)10-8-17-5-6-20-13(10)9-3-4-11(15)12(16)7-9;/h3-4,7,10,13,17H,5-6,8H2,1-2H3;1H/t10-,13+;/s2
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n/an/a 0.770n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd, 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay


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


(Homo sapiens (human))
BDBM50127392
PNG
(3-(4-Chloro-3-methyl-phenyl)-8-methyl-8-aza-bicycl...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13-,15?,16?/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of Norepinephrine (NA) reuptake using cloned human Norepinephrine transporter was determined


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


(Homo sapiens (human))
BDBM50349798
PNG
(CHEMBL1812746)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2
Show InChI InChI=1S/C16H20ClNO2/c1-9-7-10(3-5-13(9)17)12-8-11-4-6-14(18-11)15(12)16(19)20-2/h3,5,7,11-12,14-15,18H,4,6,8H2,1-2H3/t11-,12+,14+,15-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting


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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n/an/a 0.930n/an/an/an/an/an/a



Medical and Pharmaceutical Industry Technology and Development Center

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane


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


(Homo sapiens (human))
BDBM170441
PNG
(US9085531, 2)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccccc2C1
Show InChI InChI=1/C18H17NO/c1-19-11-14-7-2-4-8-15(14)16(12-19)18-10-13-6-3-5-9-17(13)20-18/h2-10,16H,11-12H2,1H3
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n/an/a<1n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


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


(Homo sapiens (human))
BDBM50322521
PNG
((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...)
Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50322509
PNG
((+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1cccnc1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-5-4-6-13-7-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
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n/an/a>1n/an/an/an/an/an/a



Barrow Neurological Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK293 cells after 90 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319577
PNG
(3-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-11-6-12-19-15-9-4-5-10-16(15)20(23(19,21)22)14-8-3-2-7-13(14)17/h2-5,7-10,18H,6,11-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50349799
PNG
(CHEMBL1812745 | RTI-112)
Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(C)c1)N2C
Show InChI InChI=1S/C17H22ClNO2/c1-10-8-11(4-6-14(10)18)13-9-12-5-7-15(19(12)2)16(13)17(20)21-3/h4,6,8,12-13,15-16H,5,7,9H2,1-3H3/t12-,13+,15+,16-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake after 10 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50319582
PNG
(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad...)
Show SMILES CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-12-6-7-13-20-16-10-4-5-11-17(16)21(24(20,22)23)15-9-3-2-8-14(15)18/h2-5,8-11,19H,6-7,12-13H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50054533
PNG
(CHEMBL3323173)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(C)cc2C1
Show InChI InChI=1/C19H19NS/c1-13-3-5-17-16(9-13)11-20(2)12-18(17)14-4-6-19-15(10-14)7-8-21-19/h3-10,18H,11-12H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


Citation and Details
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
Show InChI InChI=1S/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+/m1/s1
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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


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


(Homo sapiens (human))
BDBM50118263
PNG
(5-(4-Chloro-phenyl)-7-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1ccc2C3=NCCN3C(O)(c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-13-6-7-14-15(10-13)17(21,20-9-8-19-16(14)20)11-2-4-12(18)5-3-11/h2-7,10,21H,8-9H2,1H3
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n/an/a 1.46n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)

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


(Homo sapiens (human))
BDBM50245811
PNG
((1S,2R)-1-(2-ethylphenoxy)-2-((methylamino)methyl)...)
Show SMILES CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC
Show InChI InChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3/t18-,19+/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
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
Show InChI InChI=1S/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+/m1/s1
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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


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


(Homo sapiens (human))
BDBM50373281
PNG
(CHEMBL402441)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Citation and Details
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
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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n/an/a 1.70n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in CHO cells after 120 mins by scintillation counting


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


(Homo sapiens (human))
BDBM50118268
PNG
(5-(4-Chloro-phenyl)-6-methoxy-2,5-dihydro-3H-imida...)
Show SMILES COc1cccc2C3=NCCN3C(O)(c12)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O2/c1-22-14-4-2-3-13-15(14)17(21,20-10-9-19-16(13)20)11-5-7-12(18)8-6-11/h2-8,21H,9-10H2,1H3
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n/an/a 1.73n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)

More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50016545
PNG
(CHEMBL3278291)
Show SMILES NC1C[C@@H]2CCCC[C@H]2CC1c1ccccc1
Show InChI InChI=1S/C16H23N/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11,17H2/t13-,14-,15?,16?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation countin...


J Med Chem 19: 725-7 (1976)

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


(Homo sapiens (human))
BDBM50118260
PNG
(9-(4-Hydroxy-phenyl)-1,2,3,9-tetrahydro-4,9a-diaza...)
Show SMILES Oc1ccc(cc1)C1(O)N2CCCN=C2c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c20-13-8-6-12(7-9-13)17(21)15-5-2-1-4-14(15)16-18-10-3-11-19(16)17/h1-2,4-9,20-21H,3,10-11H2
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n/an/a 1.90n/an/an/an/an/an/a



Drew University

Curated by ChEMBL


Assay Description
Inhibition of NE uptake in HEK cells expressing human noradrenaline transporter (hNET)


J Med Chem 45: 4097-109 (2002)

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


(Homo sapiens (human))
BDBM50319580
PNG
((2S)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3/t15-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319579
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(O)CCN1c2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O3S/c1-18-13-15(21)11-12-19-16-9-5-6-10-17(16)20(24(19,22)23)14-7-3-2-4-8-14/h2-10,15,18,21H,11-13H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319576
PNG
(4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol-1(3H...)
Show SMILES CNCC(=O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H18FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,19H,10-12H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319578
PNG
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50098373
PNG
(CHEMBL3593395)
Show SMILES Cl.OC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C12H15Cl2NO2.ClH/c13-10-2-1-8(5-11(10)14)12-9(7-16)6-15-3-4-17-12;/h1-2,5,9,12,15-16H,3-4,6-7H2;1H/t9-,12-;/s2
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n/an/a 2n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd, 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay


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


(Homo sapiens (human))
BDBM50245962
PNG
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C
Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245863
PNG
((1S,2R)-2-((methylamino)methyl)-1-(2-(methylthio)p...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1SC
Show InChI InChI=1S/C18H21NO2S/c1-19-12-18(20)11-13-7-3-4-8-14(13)17(18)21-15-9-5-6-10-16(15)22-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


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


(Homo sapiens (human))
BDBM50319575
PNG
((2S)-(4-[3-(2,5-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2cc(F)ccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-13(23)8-9-21-15-4-2-3-5-16(15)22(26(21,24)25)17-10-12(18)6-7-14(17)19/h2-7,10,13,20,23H,8-9,11H2,1H3/t13-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50294264
PNG
(CHEMBL562244 | rac-3-((biphenyl-2-yloxy)(piperidin...)
Show SMILES C1CC(CCN1)C(Oc1ccccc1-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C23H24N2O/c1-2-7-18(8-3-1)21-10-4-5-11-22(21)26-23(19-12-15-24-16-13-19)20-9-6-14-25-17-20/h1-11,14,17,19,23-24H,12-13,15-16H2
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA uptake at human NET expressed in HEK293 cells


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


(Homo sapiens (human))
BDBM50319581
PNG
((2S)-(4-[3-(2,6-Difluorophenyl)-2,2-dioxido-2,1,3-...)
Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O3S/c1-20-11-12(23)9-10-21-15-7-2-3-8-16(15)22(26(21,24)25)17-13(18)5-4-6-14(17)19/h2-8,12,20,23H,9-11H2,1H3/t12-/m0/s1
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Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50319587
PNG
(CHEMBL1084042 | {3-[3-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCC(C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-13(11-12-19-2)20-16-9-5-6-10-17(16)21(24(20,22)23)15-8-4-3-7-14(15)18/h3-10,13,19H,11-12H2,1-2H3
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Pfizer Global Research& Development

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50098387
PNG
(CHEMBL3593274)
Show SMILES Cl.OCC1(CCCNCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C13H17Cl2NO.ClH/c14-11-3-2-10(8-12(11)15)13(9-17)4-1-6-16-7-5-13;/h2-3,8,16-17H,1,4-7,9H2;1H
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n/an/a 2.10n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd, 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay


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


(Homo sapiens (human))
BDBM50189570
PNG
(5-methylene-3-p-tolyl-7-aza-tricyclo[5.3.0.0*4,8*]...)
Show SMILES Cc1ccc(cc1)C1CC2CCC3C1C(=C)CN23
Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]NE uptake at NET


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


(Homo sapiens (human))
BDBM50085506
PNG
((1R,3S)-5-Methylene-3-p-tolyl-7-aza-tricyclo[5.3.0...)
Show SMILES Cc1ccc(cc1)[C@H]1C[C@H]2CCC3C1C(=C)CN23
Show InChI InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3/t14-,15-,16?,17?/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of [3H]norepinephrine uptake in HEK cells by expressing cDNA for human norepinephrine transporter


Bioorg Med Chem Lett 10: 297-300 (2000)

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
Show InChI InChI=1S/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+/m1/s1
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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


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


(Homo sapiens (human))
BDBM50275774
PNG
(CHEMBL512851 | N,N-Diallyl (1R,2R)-2-(Aminomethyl)...)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1cccs1
Show InChI InChI=1S/C15H20N2OS/c1-3-7-17(8-4-2)14(18)15(10-12(15)11-16)13-6-5-9-19-13/h3-6,9,12H,1-2,7-8,10-11,16H2/t12-,15-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


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


(Homo sapiens (human))
BDBM50098410
PNG
(CHEMBL3593402)
Show SMILES Cl.CC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
Show InChI InChI=1/C14H18ClFN2O2.ClH/c1-9(19)18-8-11-7-17-4-5-20-14(11)10-2-3-12(15)13(16)6-10;/h2-3,6,11,14,17H,4-5,7-8H2,1H3,(H,18,19);1H/t11-,14-;/s2
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n/an/a 2.30n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Ltd, 26-1, Muraokahigashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in CHOK1 cells incubated for 45 mins by [3H]-norepinephrine uptake assay


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


(Homo sapiens (human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NO/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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n/an/a 2.60n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting


Citation and Details
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
Show InChI InChI=1S/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+/m1/s1
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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


Citation and Details
More data for this
Ligand-Target Pair
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