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Compile Data Set for Download or QSAR

Found 102 hits from Neurocrine Bioscience, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373386
PNG
(CHEMBL255663)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccsc1
Show InChI InChI=1S/C15H20N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h3-5,8,11,13H,1-2,6-7,9-10,16H2/t13-,15+/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373385
PNG
(CHEMBL255450)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccsc1
Show InChI InChI=1S/C15H18N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h1,4-5,8,11,13H,2,6-7,9-10,16H2/t13-,15+/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373399
PNG
(CHEMBL401677)
Show SMILES CCN(C=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H22N2O3/c1-3-19(4-2)16(20)17(10-13(17)11-18)12-5-6-14-15(9-12)22-8-7-21-14/h3,5-6,9,13H,1,4,7-8,10-11,18H2,2H3/t13-,17+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373405
PNG
(CHEMBL257389)
Show SMILES COCCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H21FN2O2S/c1-11(16)9-18(4-5-20-2)14(19)15(7-13(15)8-17)12-3-6-21-10-12/h3,6,10,13H,1,4-5,7-9,17H2,2H3/t13-,15+/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50239791
PNG
((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373407
PNG
(CHEMBL257388)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccsc1
Show InChI InChI=1S/C15H16N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h1-2,5,8,11,13H,6-7,9-10,16H2/t13-,15+/m0/s1
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n/an/a 8.20n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373403
PNG
(CHEMBL404027)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccsc1
Show InChI InChI=1S/C18H20N2OS/c19-10-16-9-18(16,15-6-8-22-12-15)17(21)20-7-5-13-3-1-2-4-14(13)11-20/h1-4,6,8,12,16H,5,7,9-11,19H2/t16-,18+/m0/s1
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n/an/a 8.30n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373411
PNG
(CHEMBL255449)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1ccsc1
Show InChI InChI=1S/C15H20N2OS/c1-2-6-17(13-3-4-13)14(18)15(8-12(15)9-16)11-5-7-19-10-11/h2,5,7,10,12-13H,1,3-4,6,8-9,16H2/t12-,15+/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373400
PNG
(CHEMBL402089)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1C=COc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H16N2O2S/c18-10-13-9-17(13,12-5-8-22-11-12)16(20)19-6-7-21-15-4-2-1-3-14(15)19/h1-8,11,13H,9-10,18H2/t13-,17+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373401
PNG
(CHEMBL255246)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C18H20N2OS/c19-11-15-10-18(15,14-7-9-22-12-14)17(21)20-8-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12,15H,3,5,8,10-11,19H2/t15-,18+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373412
PNG
(CHEMBL403616)
Show SMILES COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H22N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h3-4,8,11,13H,1,5-7,9-10,16H2,2H3/t13-,15+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373411
PNG
(CHEMBL255449)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)C1CC1)c1ccsc1
Show InChI InChI=1S/C15H20N2OS/c1-2-6-17(13-3-4-13)14(18)15(8-12(15)9-16)11-5-7-19-10-11/h2,5,7,10,12-13H,1,3-4,6,8-9,16H2/t12-,15+/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373397
PNG
(CHEMBL257809)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Br)s1
Show InChI InChI=1S/C13H19BrN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373408
PNG
(CHEMBL439423)
Show SMILES CN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H16N2OS/c1-3-5-15(2)12(16)13(7-11(13)8-14)10-4-6-17-9-10/h1,4,6,9,11H,5,7-8,14H2,2H3/t11-,13+/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373402
PNG
(CHEMBL257348)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H18N2OS/c18-8-13-7-17(13,12-5-6-21-10-12)16(20)15-14-4-2-1-3-11(14)9-19-15/h1-6,10,13,15,19H,7-9,18H2/t13-,15?,17+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373405
PNG
(CHEMBL257389)
Show SMILES COCCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H21FN2O2S/c1-11(16)9-18(4-5-20-2)14(19)15(7-13(15)8-17)12-3-6-21-10-12/h3,6,10,13H,1,4-5,7-9,17H2,2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373396
PNG
(CHEMBL257810)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
Show InChI InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373406
PNG
(CHEMBL402027)
Show SMILES CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H17FN2OS/c1-9(14)7-16(2)12(17)13(5-11(13)6-15)10-3-4-18-8-10/h3-4,8,11H,1,5-7,15H2,2H3/t11-,13+/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373409
PNG
(CHEMBL257390)
Show SMILES COCCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H20N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h1,4,8,11,13H,5-7,9-10,16H2,2H3/t13-,15+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373412
PNG
(CHEMBL403616)
Show SMILES COCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H22N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h3-4,8,11,13H,1,5-7,9-10,16H2,2H3/t13-,15+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373398
PNG
(CHEMBL401676)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(7-11(13)8-14)10-5-6-17-9-10/h5-6,9,11H,3-4,7-8,14H2,1-2H3/t11-,13+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373406
PNG
(CHEMBL402027)
Show SMILES CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H17FN2OS/c1-9(14)7-16(2)12(17)13(5-11(13)6-15)10-3-4-18-8-10/h3-4,8,11H,1,5-7,15H2,2H3/t11-,13+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373413
PNG
(CHEMBL257603)
Show SMILES CN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H18N2OS/c1-3-5-15(2)12(16)13(7-11(13)8-14)10-4-6-17-9-10/h3-4,6,9,11H,1,5,7-8,14H2,2H3/t11-,13+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373409
PNG
(CHEMBL257390)
Show SMILES COCCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C15H20N2O2S/c1-3-5-17(6-7-19-2)14(18)15(9-13(15)10-16)12-4-8-20-11-12/h1,4,8,11,13H,5-7,9-10,16H2,2H3/t13-,15+/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373393
PNG
(CHEMBL257338)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2ccccc2s1
Show InChI InChI=1S/C17H22N2OS/c1-3-19(4-2)16(20)17(10-13(17)11-18)15-9-12-7-5-6-8-14(12)21-15/h5-9,13H,3-4,10-11,18H2,1-2H3/t13-,17-/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373399
PNG
(CHEMBL401677)
Show SMILES CCN(C=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H22N2O3/c1-3-19(4-2)16(20)17(10-13(17)11-18)12-5-6-14-15(9-12)22-8-7-21-14/h3,5-6,9,13H,1,4,7-8,10-11,18H2,2H3/t13-,17+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373385
PNG
(CHEMBL255450)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccsc1
Show InChI InChI=1S/C15H18N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h1,4-5,8,11,13H,2,6-7,9-10,16H2/t13-,15+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373386
PNG
(CHEMBL255663)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccsc1
Show InChI InChI=1S/C15H20N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h3-5,8,11,13H,1-2,6-7,9-10,16H2/t13-,15+/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50239784
PNG
((1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-,13-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373402
PNG
(CHEMBL257348)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H18N2OS/c18-8-13-7-17(13,12-5-6-21-10-12)16(20)15-14-4-2-1-3-11(14)9-19-15/h1-6,10,13,15,19H,7-9,18H2/t13-,15?,17+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373407
PNG
(CHEMBL257388)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccsc1
Show InChI InChI=1S/C15H16N2OS/c1-3-6-17(7-4-2)14(18)15(9-13(15)10-16)12-5-8-19-11-12/h1-2,5,8,11,13H,6-7,9-10,16H2/t13-,15+/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373413
PNG
(CHEMBL257603)
Show SMILES CN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H18N2OS/c1-3-5-15(2)12(16)13(7-11(13)8-14)10-4-6-17-9-10/h3-4,6,9,11H,1,5,7-8,14H2,2H3/t11-,13+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373408
PNG
(CHEMBL439423)
Show SMILES CN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H16N2OS/c1-3-5-15(2)12(16)13(7-11(13)8-14)10-4-6-17-9-10/h1,4,6,9,11H,5,7-8,14H2,2H3/t11-,13+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50239791
PNG
((1S,2R)-N-allyl-2-(aminomethyl)-N-ethyl-1-(thiophe...)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C14H20N2OS/c1-3-6-16(4-2)13(17)14(8-12(14)9-15)11-5-7-18-10-11/h3,5,7,10,12H,1,4,6,8-9,15H2,2H3/t12-,14+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373389
PNG
(CHEMBL257130)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C17H21FN2OS/c1-3-20(4-2)16(21)17(9-12(17)10-19)15-8-11-7-13(18)5-6-14(11)22-15/h5-8,12H,3-4,9-10,19H2,1-2H3/t12-,17-/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373387
PNG
(CHEMBL257808)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1csc2ccccc12
Show InChI InChI=1S/C17H22N2OS/c1-3-19(4-2)16(20)17(9-12(17)10-18)14-11-21-15-8-6-5-7-13(14)15/h5-8,11-12H,3-4,9-10,18H2,1-2H3/t12-,17-/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373404
PNG
(CHEMBL402090)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCCC=C1)c1ccsc1
Show InChI InChI=1S/C14H18N2OS/c15-9-12-8-14(12,11-4-7-18-10-11)13(17)16-5-2-1-3-6-16/h2,4-5,7,10,12H,1,3,6,8-9,15H2/t12-,14+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373394
PNG
(CHEMBL258013)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1sc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C13H17Cl3N2OS/c1-3-18(4-2)12(19)13(5-7(13)6-17)10-8(14)9(15)11(16)20-10/h7H,3-6,17H2,1-2H3/t7-,13-/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373389
PNG
(CHEMBL257130)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2cc(F)ccc2s1
Show InChI InChI=1S/C17H21FN2OS/c1-3-20(4-2)16(21)17(9-12(17)10-19)15-8-11-7-13(18)5-6-14(11)22-15/h5-8,12H,3-4,9-10,19H2,1-2H3/t12-,17-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373403
PNG
(CHEMBL404027)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccsc1
Show InChI InChI=1S/C18H20N2OS/c19-10-16-9-18(16,15-6-8-22-12-15)17(21)20-7-5-13-3-1-2-4-14(13)11-20/h1-4,6,8,12,16H,5,7,9-11,19H2/t16-,18+/m0/s1
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Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373400
PNG
(CHEMBL402089)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1C=COc2ccccc12)c1ccsc1
Show InChI InChI=1S/C17H16N2O2S/c18-10-13-9-17(13,12-5-8-22-11-12)16(20)19-6-7-21-15-4-2-1-3-14(15)19/h1-8,11,13H,9-10,18H2/t13-,17+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373397
PNG
(CHEMBL257809)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Br)s1
Show InChI InChI=1S/C13H19BrN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373401
PNG
(CHEMBL255246)
Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCCc2ccccc12)c1ccsc1
Show InChI InChI=1S/C18H20N2OS/c19-11-15-10-18(15,14-7-9-22-12-14)17(21)20-8-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-7,9,12,15H,3,5,8,10-11,19H2/t15-,18+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50239784
PNG
((1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(thiophen-2-...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cccs1
Show InChI InChI=1S/C13H20N2OS/c1-3-15(4-2)12(16)13(8-10(13)9-14)11-6-5-7-17-11/h5-7,10H,3-4,8-9,14H2,1-2H3/t10-,13-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373396
PNG
(CHEMBL257810)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
Show InChI InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50373395
PNG
(CHEMBL401804)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc(Cl)c(Cl)s1
Show InChI InChI=1S/C13H18Cl2N2OS/c1-3-17(4-2)12(18)13(6-8(13)7-16)10-5-9(14)11(15)19-10/h5,8H,3-4,6-7,16H2,1-2H3/t8-,13-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373410
PNG
(CHEMBL255448)
Show SMILES COCCN(C)C(=O)[C@]1(C[C@H]1CN)c1ccsc1
Show InChI InChI=1S/C13H20N2O2S/c1-15(4-5-17-2)12(16)13(7-11(13)8-14)10-3-6-18-9-10/h3,6,9,11H,4-5,7-8,14H2,1-2H3/t11-,13+/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50373393
PNG
(CHEMBL257338)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1cc2ccccc2s1
Show InChI InChI=1S/C17H22N2OS/c1-3-19(4-2)16(20)17(10-13(17)11-18)15-9-12-7-5-6-8-14(12)21-15/h5-9,13H,3-4,10-11,18H2,1-2H3/t13-,17-/m0/s1
PDB

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n/an/a 620n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
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