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PubMed code 21112782

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333952
PNG
(CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-
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1.30n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333972
PNG
(CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17-
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119n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333954
PNG
(CHEMBL1644611 | exo-3-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccn1
Show InChI InChI=1S/C19H19N3O/c20-12-13-7-14(19-3-1-2-6-21-19)9-17(8-13)23-18-10-15-4-5-16(11-18)22-15/h1-3,6-9,15-16,18,22H,4-5,10-11H2/t15-,16+,18-
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1.62E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333953
PNG
(2-(3-((1R,5S)-8-azabicyclo[3.2.1]octan-3-yloxy)-5-...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ncccc1C#N
Show InChI InChI=1S/C20H18N4O/c21-11-13-6-15(20-14(12-22)2-1-5-23-20)8-18(7-13)25-19-9-16-3-4-17(10-19)24-16/h1-2,5-8,16-17,19,24H,3-4,9-10H2/t16-,17+,19-
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3.80E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50333976
PNG
(CHEMBL1644609 | exo-2-(6-((1R,5S)-8-azabicyclo[3.2...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1
Show InChI InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16-
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7.08E+3n/an/an/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333975
PNG
(CHEMBL1644608 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-15-4-1-2-7-20(15)14-5-3-6-18(10-14)23-19-11-16-8-9-17(12-19)22-16/h1-7,10,16-17,19,22H,8-9,11-12H2/t16-,17+,19-
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n/an/a 5n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333976
PNG
(CHEMBL1644609 | exo-2-(6-((1R,5S)-8-azabicyclo[3.2...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1
Show InChI InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16-
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n/an/a 9n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333960
PNG
(CHEMBL1644477 | exo-(1R,5S)-3-(3-iodophenoxy)-8-az...)
Show SMILES Ic1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16INO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 12n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333959
PNG
(CHEMBL1644476 | exo-(1R,5S)-3-(3-bromophenoxy)-8-a...)
Show SMILES Brc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16BrNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333977
PNG
(CHEMBL1644610 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H18N4O/c21-11-13-7-19(18-4-2-1-3-14(18)12-22)24-20(8-13)25-17-9-15-5-6-16(10-17)23-15/h1-4,7-8,15-17,23H,5-6,9-10H2/t15-,16+,17-
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n/an/a 13n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333957
PNG
(CHEMBL1644474 | exo-(1R,5S)-3-(3-chlorophenoxy)-8-...)
Show SMILES Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 19n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333966
PNG
(CHEMBL1644483 | exo-3-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16N2O/c15-9-10-2-1-3-13(6-10)17-14-7-11-4-5-12(8-14)16-11/h1-3,6,11-12,14,16H,4-5,7-8H2/t11-,12+,14-
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n/an/a 25n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333952
PNG
(CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-
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n/an/a 26n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333969
PNG
(CHEMBL1644602 | exo-(1R,5S)-3-(5-chlorobiphenyl-3-...)
Show SMILES Clc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 30n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333974
PNG
(CHEMBL1644607 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1cccc(c1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-3-1-4-15(9-14)16-5-2-6-19(10-16)23-20-11-17-7-8-18(12-20)22-17/h1-6,9-10,17-18,20,22H,7-8,11-12H2/t17-,18+,20-
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n/an/a 31n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333956
PNG
(CHEMBL1644473 | exo-(1R,5S)-3-(4-chlorophenoxy)-8-...)
Show SMILES Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2/t10-,11+,13-
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n/an/a 43n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333977
PNG
(CHEMBL1644610 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H18N4O/c21-11-13-7-19(18-4-2-1-3-14(18)12-22)24-20(8-13)25-17-9-15-5-6-16(10-17)23-15/h1-4,7-8,15-17,23H,5-6,9-10H2/t15-,16+,17-
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n/an/a 48n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333978
PNG
(CHEMBL1644471 | exo-(1R,5S)-3-phenoxy-8-azabicyclo...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1
Show InChI InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13-
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n/an/a 54n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333973
PNG
(CHEMBL1644606 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccc(cc1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-4-6-15(7-5-14)16-2-1-3-19(10-16)23-20-11-17-8-9-18(12-20)22-17/h1-7,10,17-18,20,22H,8-9,11-12H2/t17-,18+,20-
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n/an/a 60n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333961
PNG
(CHEMBL1644478 | exo-(1R,5S)-3-(3-fluorophenoxy)-8-...)
Show SMILES Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16FNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 67n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 85n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333955
PNG
(CHEMBL1644472 | exo-(1R,5S)-8-methyl-3-phenoxy-8-a...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccccc1
Show InChI InChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14-
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n/an/a 86n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333963
PNG
(CHEMBL1644480 | exo-(1R,5S)-3-(3-nitrophenoxy)-8-a...)
Show SMILES [O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16N2O3/c16-15(17)11-2-1-3-12(8-11)18-13-6-9-4-5-10(7-13)14-9/h1-3,8-10,13-14H,4-7H2/t9-,10+,13-
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n/an/a 86n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333972
PNG
(CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17-
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n/an/a 90n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333963
PNG
(CHEMBL1644480 | exo-(1R,5S)-3-(3-nitrophenoxy)-8-a...)
Show SMILES [O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16N2O3/c16-15(17)11-2-1-3-12(8-11)18-13-6-9-4-5-10(7-13)14-9/h1-3,8-10,13-14H,4-7H2/t9-,10+,13-
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n/an/a 91n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333962
PNG
(CHEMBL1644479 | exo-(1R,5S)-3-(m-tolyloxy)-8-azabi...)
Show SMILES Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO/c1-10-3-2-4-13(7-10)16-14-8-11-5-6-12(9-14)15-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3/t11-,12+,14-
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n/an/a 92n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333964
PNG
(CHEMBL1644481 | exo-(1R,5S)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13-
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n/an/a 99n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333971
PNG
(CHEMBL1644604 | exo-5-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c21-13-14-8-16(15-4-2-1-3-5-15)10-19(9-14)23-20-11-17-6-7-18(12-20)22-17/h1-5,8-10,17-18,20,22H,6-7,11-12H2/t17-,18+,20-
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n/an/a 100n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333973
PNG
(CHEMBL1644606 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccc(cc1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-4-6-15(7-5-14)16-2-1-3-19(10-16)23-20-11-17-8-9-18(12-20)22-17/h1-7,10,17-18,20,22H,8-9,11-12H2/t17-,18+,20-
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n/an/a 105n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333960
PNG
(CHEMBL1644477 | exo-(1R,5S)-3-(3-iodophenoxy)-8-az...)
Show SMILES Ic1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16INO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 106n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333966
PNG
(CHEMBL1644483 | exo-3-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16N2O/c15-9-10-2-1-3-13(6-10)17-14-7-11-4-5-12(8-14)16-11/h1-3,6,11-12,14,16H,4-5,7-8H2/t11-,12+,14-
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n/an/a 126n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333964
PNG
(CHEMBL1644481 | exo-(1R,5S)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13-
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n/an/a 128n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333968
PNG
(CHEMBL1644601 | exo-(1R,5S)-3-(5-bromobiphenyl-3-y...)
Show SMILES Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 132n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333957
PNG
(CHEMBL1644474 | exo-(1R,5S)-3-(3-chlorophenoxy)-8-...)
Show SMILES Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 135n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333959
PNG
(CHEMBL1644476 | exo-(1R,5S)-3-(3-bromophenoxy)-8-a...)
Show SMILES Brc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16BrNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 136n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333971
PNG
(CHEMBL1644604 | exo-5-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c21-13-14-8-16(15-4-2-1-3-5-15)10-19(9-14)23-20-11-17-6-7-18(12-20)22-17/h1-5,8-10,17-18,20,22H,6-7,11-12H2/t17-,18+,20-
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n/an/a 148n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333973
PNG
(CHEMBL1644606 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccc(cc1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-4-6-15(7-5-14)16-2-1-3-19(10-16)23-20-11-17-8-9-18(12-20)22-17/h1-7,10,17-18,20,22H,8-9,11-12H2/t17-,18+,20-
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n/an/a 173n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
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n/an/a 188n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333959
PNG
(CHEMBL1644476 | exo-(1R,5S)-3-(3-bromophenoxy)-8-a...)
Show SMILES Brc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16BrNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333972
PNG
(CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17-
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n/an/a 208n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333965
PNG
(CHEMBL1644482 | exo-(1R,5S)-3-(3-methoxyphenoxy)-8...)
Show SMILES COc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO2/c1-16-12-3-2-4-13(9-12)17-14-7-10-5-6-11(8-14)15-10/h2-4,9-11,14-15H,5-8H2,1H3/t10-,11+,14-
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n/an/a 222n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333956
PNG
(CHEMBL1644473 | exo-(1R,5S)-3-(4-chlorophenoxy)-8-...)
Show SMILES Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2/t10-,11+,13-
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n/an/a 347n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333965
PNG
(CHEMBL1644482 | exo-(1R,5S)-3-(3-methoxyphenoxy)-8...)
Show SMILES COc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO2/c1-16-12-3-2-4-13(9-12)17-14-7-10-5-6-11(8-14)15-10/h2-4,9-11,14-15H,5-8H2,1H3/t10-,11+,14-
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n/an/a 369n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333957
PNG
(CHEMBL1644474 | exo-(1R,5S)-3-(3-chlorophenoxy)-8-...)
Show SMILES Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16ClNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 380n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333955
PNG
(CHEMBL1644472 | exo-(1R,5S)-8-methyl-3-phenoxy-8-a...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccccc1
Show InChI InChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14-
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n/an/a 437n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333969
PNG
(CHEMBL1644602 | exo-(1R,5S)-3-(5-chlorobiphenyl-3-...)
Show SMILES Clc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 452n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333974
PNG
(CHEMBL1644607 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1cccc(c1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-3-1-4-15(9-14)16-5-2-6-19(10-16)23-20-11-17-7-8-18(12-20)22-17/h1-6,9-10,17-18,20,22H,7-8,11-12H2/t17-,18+,20-
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n/an/a 481n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333962
PNG
(CHEMBL1644479 | exo-(1R,5S)-3-(m-tolyloxy)-8-azabi...)
Show SMILES Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO/c1-10-3-2-4-13(7-10)16-14-8-11-5-6-12(9-14)15-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3/t11-,12+,14-
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n/an/a 624n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333978
PNG
(CHEMBL1644471 | exo-(1R,5S)-3-phenoxy-8-azabicyclo...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1
Show InChI InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13-
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n/an/a 737n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333961
PNG
(CHEMBL1644478 | exo-(1R,5S)-3-(3-fluorophenoxy)-8-...)
Show SMILES Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16FNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 750n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333960
PNG
(CHEMBL1644477 | exo-(1R,5S)-3-(3-iodophenoxy)-8-az...)
Show SMILES Ic1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16INO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 804n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
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n/an/a 881n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50333967
PNG
(CHEMBL1644600 | exo-(1R,5S)-3-(5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20F3NO/c21-20(22,23)15-8-14(13-4-2-1-3-5-13)9-18(10-15)25-19-11-16-6-7-17(12-19)24-16/h1-5,8-10,16-17,19,24H,6-7,11-12H2/t16-,17+,19-
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n/an/a 891n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]noradrenalin reuptake at NET expressed in MDCK cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 905n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333961
PNG
(CHEMBL1644478 | exo-(1R,5S)-3-(3-fluorophenoxy)-8-...)
Show SMILES Fc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16FNO/c14-9-2-1-3-12(6-9)16-13-7-10-4-5-11(8-13)15-10/h1-3,6,10-11,13,15H,4-5,7-8H2/t10-,11+,13-
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n/an/a 1.25E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333958
PNG
(CHEMBL1644475 | exo-(1R,5S)-3-(2-chlorophenoxy)-8-...)
Show SMILES Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2
Show InChI InChI=1S/C13H16ClNO/c14-12-3-1-2-4-13(12)16-11-7-9-5-6-10(8-11)15-9/h1-4,9-11,15H,5-8H2/t9-,10+,11-
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n/an/a 1.32E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333966
PNG
(CHEMBL1644483 | exo-3-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16N2O/c15-9-10-2-1-3-13(6-10)17-14-7-11-4-5-12(8-14)16-11/h1-3,6,11-12,14,16H,4-5,7-8H2/t11-,12+,14-
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n/an/a 1.40E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333963
PNG
(CHEMBL1644480 | exo-(1R,5S)-3-(3-nitrophenoxy)-8-a...)
Show SMILES [O-][N+](=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C13H16N2O3/c16-15(17)11-2-1-3-12(8-11)18-13-6-9-4-5-10(7-13)14-9/h1-3,8-10,13-14H,4-7H2/t9-,10+,13-
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n/an/a 2.01E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333956
PNG
(CHEMBL1644473 | exo-(1R,5S)-3-(4-chlorophenoxy)-8-...)
Show SMILES Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1
Show InChI InChI=1S/C13H16ClNO/c14-9-1-5-12(6-2-9)16-13-7-10-3-4-11(8-13)15-10/h1-2,5-6,10-11,13,15H,3-4,7-8H2/t10-,11+,13-
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n/an/a 2.26E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333962
PNG
(CHEMBL1644479 | exo-(1R,5S)-3-(m-tolyloxy)-8-azabi...)
Show SMILES Cc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO/c1-10-3-2-4-13(7-10)16-14-8-11-5-6-12(9-14)15-11/h2-4,7,11-12,14-15H,5-6,8-9H2,1H3/t11-,12+,14-
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n/an/a 2.43E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333975
PNG
(CHEMBL1644608 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-15-4-1-2-7-20(15)14-5-3-6-18(10-14)23-19-11-16-8-9-17(12-19)22-16/h1-7,10,16-17,19,22H,8-9,11-12H2/t16-,17+,19-
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n/an/a 2.55E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333968
PNG
(CHEMBL1644601 | exo-(1R,5S)-3-(5-bromobiphenyl-3-y...)
Show SMILES Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 2.61E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333965
PNG
(CHEMBL1644482 | exo-(1R,5S)-3-(3-methoxyphenoxy)-8...)
Show SMILES COc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H19NO2/c1-16-12-3-2-4-13(9-12)17-14-7-10-5-6-11(8-14)15-10/h2-4,9-11,14-15H,5-8H2,1H3/t10-,11+,14-
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n/an/a 2.78E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333964
PNG
(CHEMBL1644481 | exo-(1R,5S)-3-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C14H16F3NO/c15-14(16,17)9-2-1-3-12(6-9)19-13-7-10-4-5-11(8-13)18-10/h1-3,6,10-11,13,18H,4-5,7-8H2/t10-,11+,13-
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n/an/a 3.86E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333967
PNG
(CHEMBL1644600 | exo-(1R,5S)-3-(5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20F3NO/c21-20(22,23)15-8-14(13-4-2-1-3-5-13)9-18(10-15)25-19-11-16-6-7-17(12-19)24-16/h1-5,8-10,16-17,19,24H,6-7,11-12H2/t16-,17+,19-
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n/an/a 4.62E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333969
PNG
(CHEMBL1644602 | exo-(1R,5S)-3-(5-chlorobiphenyl-3-...)
Show SMILES Clc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20ClNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 5.33E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333978
PNG
(CHEMBL1644471 | exo-(1R,5S)-3-phenoxy-8-azabicyclo...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1ccccc1
Show InChI InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13-
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n/an/a 5.66E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333952
PNG
(CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-
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n/an/a 7.64E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333975
PNG
(CHEMBL1644608 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-15-4-1-2-7-20(15)14-5-3-6-18(10-14)23-19-11-16-8-9-17(12-19)22-16/h1-7,10,16-17,19,22H,8-9,11-12H2/t16-,17+,19-
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n/an/a 8.07E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333970
PNG
(CHEMBL1644603 | exo-(1R,5S)-3-(5-fluorobiphenyl-3-...)
Show SMILES Fc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20FNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a 8.71E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333976
PNG
(CHEMBL1644609 | exo-2-(6-((1R,5S)-8-azabicyclo[3.2...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1
Show InChI InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16-
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n/an/a 8.98E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333971
PNG
(CHEMBL1644604 | exo-5-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O/c21-13-14-8-16(15-4-2-1-3-5-15)10-19(9-14)23-20-11-17-6-7-18(12-20)22-17/h1-5,8-10,17-18,20,22H,6-7,11-12H2/t17-,18+,20-
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n/an/a 9.55E+3n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333968
PNG
(CHEMBL1644601 | exo-(1R,5S)-3-(5-bromobiphenyl-3-y...)
Show SMILES Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C19H20BrNO/c20-15-8-14(13-4-2-1-3-5-13)9-18(10-15)22-19-11-16-6-7-17(12-19)21-16/h1-5,8-10,16-17,19,21H,6-7,11-12H2/t16-,17+,19-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333955
PNG
(CHEMBL1644472 | exo-(1R,5S)-8-methyl-3-phenoxy-8-a...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1ccccc1
Show InChI InChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50333974
PNG
(CHEMBL1644607 | exo-3'-((1R,5S)-8-azabicyclo[3.2.1...)
Show SMILES N#Cc1cccc(c1)-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1
Show InChI InChI=1S/C20H20N2O/c21-13-14-3-1-4-15(9-14)16-5-2-6-19(10-16)23-20-11-17-7-8-18(12-20)22-17/h1-6,9-10,17-18,20,22H,7-8,11-12H2/t17-,18+,20-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at SERT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333977
PNG
(CHEMBL1644610 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H18N4O/c21-11-13-7-19(18-4-2-1-3-14(18)12-22)24-20(8-13)25-17-9-15-5-6-16(10-17)23-15/h1-4,7-8,15-17,23H,5-6,9-10H2/t15-,16+,17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333967
PNG
(CHEMBL1644600 | exo-(1R,5S)-3-(5-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20F3NO/c21-20(22,23)15-8-14(13-4-2-1-3-5-13)9-18(10-15)25-19-11-16-6-7-17(12-19)24-16/h1-5,8-10,16-17,19,24H,6-7,11-12H2/t16-,17+,19-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333952
PNG
(CHEMBL1644470 | exo-(1R,5S)-3-(6-phenylpyridin-2-y...)
Show SMILES C1C[C@@H]2C[C@H](C[C@H]1N2)Oc1cccc(n1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O/c1-2-5-13(6-3-1)17-7-4-8-18(20-17)21-16-11-14-9-10-15(12-16)19-14/h1-8,14-16,19H,9-12H2/t14-,15+,16-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333972
PNG
(CHEMBL1644605 | exo-2-((1R,5S)-8-azabicyclo[3.2.1]...)
Show SMILES N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(c1)-c1ccccc1
Show InChI InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17-
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n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50333976
PNG
(CHEMBL1644609 | exo-2-(6-((1R,5S)-8-azabicyclo[3.2...)
Show SMILES N#Cc1ccccc1-c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)n1
Show InChI InChI=1S/C19H19N3O/c20-12-13-4-1-2-5-17(13)18-6-3-7-19(22-18)23-16-10-14-8-9-15(11-16)21-14/h1-7,14-16,21H,8-11H2/t14-,15+,16-
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



MSD

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at DAT expressed in HEK293 cells scintillation counting


Bioorg Med Chem Lett 21: 271-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.021
BindingDB Entry DOI: 10.7270/Q2CZ37D3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%