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Compile Data Set for Download or QSAR

Found 3838 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline 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
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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PubMed
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)


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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PubMed
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)


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))
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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6 -48.8n/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)


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))
BDBM35230
PNG
(indole, 14)
Show SMILES CNC[C@@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(17-11-7-6-10-16(14)17)19(18(22)12-20-2)15-8-4-3-5-9-15/h3-11,13,18-20,22H,12H2,1-2H3/t18-,19+/m1/s1
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9 -47.8n/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)


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))
BDBM35228
PNG
(CHEMBL21731 | Dibencycladine | Ludiomil | maprotil...)
Show InChI InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
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12 -47.0n/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))
BDBM35252
PNG
(3-(phenylsulfonyl)-1H-indole, 33b)
Show SMILES CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-15(2)21-13-7-9-16-8-6-12-18-20(16)19(14-22-18)25(23,24)17-10-4-3-5-11-17/h3-6,8,10-12,14-15,21-22H,7,9,13H2,1-2H3
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13 -46.8 12n/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))
BDBM35251
PNG
(3-(phenylsulfonyl)-1H-indole, 33a)
Show SMILES CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-3-22(2)14-8-10-16-9-7-13-18-20(16)19(15-21-18)25(23,24)17-11-5-4-6-12-17/h4-7,9,11-13,15,21H,3,8,10,14H2,1-2H3
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21 -45.6 29n/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))
BDBM35244
PNG
(3-(phenylsulfonyl)-1H-indole, 18f)
Show SMILES CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-14(2)20-12-11-15-7-6-10-17-19(15)18(13-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,13-14,20-21H,11-12H2,1-2H3
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25 -45.1 51n/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))
BDBM35247
PNG
(3-(phenylsulfonyl)-1H-indole, 18i)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-9-3-1-4-10-18)20-16-22-19-11-7-8-17(21(19)20)12-15-23-13-5-2-6-14-23/h1,3-4,7-11,16,22H,2,5-6,12-15H2
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27 -44.9 47n/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))
BDBM35232
PNG
(3-(phenylsulfonyl)-1H-indole, 18b)
Show SMILES CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-19(15)18(14-20-17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
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28 -44.8 49n/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))
BDBM35231
PNG
(3-(phenylsulfonyl)-1H-indole, 18a)
Show SMILES CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-18(14)17(13-19-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
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45 -43.6 80n/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))
BDBM35246
PNG
(3-(phenylsulfonyl)-1H-indole, 18h)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c23-25(24,17-8-2-1-3-9-17)19-15-21-18-10-6-7-16(20(18)19)11-14-22-12-4-5-13-22/h1-3,6-10,15,21H,4-5,11-14H2
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73 -42.4 128n/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))
BDBM35242
PNG
(3-(phenylsulfonyl)-1H-indole, 18d)
Show SMILES CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-2-19-12-11-14-7-6-10-16-18(14)17(13-20-16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19-20H,2,11-12H2,1H3
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78 -42.2 146n/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))
BDBM35249
PNG
(3-(phenylsulfonyl)-1H-indole, 18k)
Show SMILES CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c1-17-8-5-6-14-24(17)15-13-18-9-7-12-20-22(18)21(16-23-20)27(25,26)19-10-3-2-4-11-19/h2-4,7,9-12,16-17,23H,5-6,8,13-15H2,1H3
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125 -41.0 116n/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))
BDBM35248
PNG
(3-(phenylsulfonyl)-1H-indole, 18j)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-10-4-3-5-11-19)21-17-23-20-12-8-9-18(22(20)21)13-16-24-14-6-1-2-7-15-24/h3-5,8-12,17,23H,1-2,6-7,13-16H2
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208 -39.7 221n/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))
BDBM35241
PNG
(3-(phenylsulfonyl)-1H-indole, 18c)
Show SMILES CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H18N2O2S/c1-18-11-10-13-6-5-9-15-17(13)16(12-19-15)22(20,21)14-7-3-2-4-8-14/h2-9,12,18-19H,10-11H2,1H3
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306 -38.7 353n/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))
BDBM35245
PNG
(3-(phenylsulfonyl)-1H-indole, 18g)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1
Show InChI InChI=1S/C21H24N2O2S/c24-26(25,18-10-2-1-3-11-18)20-15-23-19-12-6-7-16(21(19)20)13-14-22-17-8-4-5-9-17/h1-3,6-7,10-12,15,17,22-23H,4-5,8-9,13-14H2
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428 -37.8 460n/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))
BDBM35243
PNG
(3-(phenylsulfonyl)-1H-indole, 18e)
Show SMILES CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-2-12-20-13-11-15-7-6-10-17-19(15)18(14-21-17)24(22,23)16-8-4-3-5-9-16/h3-10,14,20-21H,2,11-13H2,1H3
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487 -37.5 302n/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))
BDBM35240
PNG
(3-(phenylsulfonyl)-1H-indole, 18m)
Show SMILES NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16N2O2S/c17-10-9-12-5-4-8-14-16(12)15(11-18-14)21(19,20)13-6-2-1-3-7-13/h1-8,11,18H,9-10,17H2
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792 -36.2 960n/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))
BDBM35253
PNG
(3-(phenylsulfonyl)-1H-indole, 33c)
Show SMILES O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1
Show InChI InChI=1S/C22H26N2O2S/c25-27(26,19-11-3-1-4-12-19)21-17-23-20-13-7-9-18(22(20)21)10-8-16-24-14-5-2-6-15-24/h1,3-4,7,9,11-13,17,23H,2,5-6,8,10,14-16H2
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1.03E+3 -35.5 707n/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))
BDBM35250
PNG
(3-(phenylsulfonyl)-1H-indole, 18l)
Show SMILES CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
Show InChI InChI=1S/C22H26N2O2S/c1-17-7-6-13-24(16-17)14-12-18-8-5-11-20-22(18)21(15-23-20)27(25,26)19-9-3-2-4-10-19/h2-5,8-11,15,17,23H,6-7,12-14,16H2,1H3
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1.13E+3 -35.3 1.09E+3n/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))
BDBM35238
PNG
(3-(phenylsulfonyl)-1H-indole, 28a)
Show SMILES CN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)12-11-14-7-6-10-16-17(13-19-18(14)16)23(21,22)15-8-4-3-5-9-15/h3-10,13,19H,11-12H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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))
BDBM35237
PNG
(3-(phenylsulfonyl)-1H-indole, 26b)
Show SMILES CCN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-17-18(13-15)20-14-19(17)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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))
BDBM35236
PNG
(3-(phenylsulfonyl)-1H-indole, 26a)
Show SMILES CN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)11-10-14-8-9-16-17(12-14)19-13-18(16)23(21,22)15-6-4-3-5-7-15/h3-9,12-13,19H,10-11H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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))
BDBM35235
PNG
(3-(phenylsulfonyl)-1H-indole, 27b)
Show SMILES CCN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)12-11-15-9-10-18-17(13-15)19(14-20-18)24(22,23)16-7-5-4-6-8-16/h4-10,13-14,20H,3,11-12H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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))
BDBM35233
PNG
(3-(phenylsulfonyl)-1H-indole, 27a)
Show SMILES CN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-20(2)11-10-14-8-9-17-16(12-14)18(13-19-17)23(21,22)15-6-4-3-5-7-15/h3-9,12-13,19H,10-11H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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))
BDBM35239
PNG
(3-(phenylsulfonyl)-1H-indole, 28b)
Show SMILES CCN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O2S/c1-3-21(2)13-12-15-8-7-11-17-18(14-20-19(15)17)24(22,23)16-9-5-4-6-10-16/h4-11,14,20H,3,12-13H2,1-2H3
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n/an/an/an/an/an/an/a7.437



Wyeth Research



Assay Description
IC50 Values were obtained from inhibition of norepinephrine uptake in MDCK-Net6 cells, stably transfected with the human NET.


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
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
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)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q25Q4TMX
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


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
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)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q25Q4TMX
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


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
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)


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
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)


Article DOI: 10.1021/jm010302r
BindingDB Entry DOI: 10.7270/Q2MC90R8
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


J Med Chem 33: 2793-7 (1990)


Article DOI: 10.1021/jm00172a018
BindingDB Entry DOI: 10.7270/Q27S7PB4
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)


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


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



Emory University

Curated by ChEMBL


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


J Med Chem 52: 62-73 (2009)


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


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



Emory University

Curated by ChEMBL


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


Bioorg Med Chem 16: 783-93 (2008)


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


(Homo sapiens (human))
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)


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))
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))
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))
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))
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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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))
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)


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))
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)


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
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)


BindingDB Entry DOI: 10.7270/Q2K64GMB
More data for this
Ligand-Target Pair
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