Found 37 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | PDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)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/t17-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50124566
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)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 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)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 | Reactome pathway
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| DrugBank
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)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/t17-/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263540
((R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propy...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H21F3N2O/c1-20(2)15-5-4-6-16(23)18(15)25(19(20)26)17(7-8-24-3)12-9-13(21)11-14(22)10-12/h4-6,9-11,17,24H,7-8H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)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 | Reactome pathway
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263500
((R)-1-(1-(3-chlorophenyl)-3-(methylamino)propyl)-7...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H22ClFN2O/c1-20(2)15-8-5-9-16(22)18(15)24(19(20)25)17(10-11-23-3)13-6-4-7-14(21)12-13/h4-9,12,17,23H,10-11H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263541
((R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-20(2)16-11-7-8-12-18(16)22(19(20)23)17(13-14-21-3)15-9-5-4-6-10-15/h4-12,17,21H,13-14H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| CHEMBL
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263498
((R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-20(2)15-8-5-9-16(22)18(15)24(19(20)25)17(10-11-23-3)13-6-4-7-14(21)12-13/h4-9,12,17,23H,10-11H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263499
((R)-1-(1-(3-chloro-5-fluorophenyl)-3-(methylamino)...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C20H21ClF2N2O/c1-20(2)15-5-4-6-16(23)18(15)25(19(20)26)17(7-8-24-3)12-9-13(21)11-14(22)10-12/h4-6,9-11,17,24H,7-8H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263543
(1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]...)Show SMILES CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H27FN2O/c1-25-15-12-20(17-8-7-9-18(24)16-17)26-21-11-4-3-10-19(21)23(22(26)27)13-5-2-6-14-23/h3-4,7-11,16,20,25H,2,5-6,12-15H2,1H3/t20-/m1/s1 | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245797
(3-(1H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine ...)Show InChI InChI=1S/C18H20N2/c1-19-13-11-18(15-7-3-2-4-8-15)20-14-12-16-9-5-6-10-17(16)20/h2-10,12,14,18-19H,11,13H2,1H3 | Reactome pathway
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263544
(1'-[(1R)-3-(methylamino)-1-phenylpropyl]-1',2'-dih...)Show SMILES CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O/c1-24-17-14-20(18-10-4-2-5-11-18)25-21-13-7-6-12-19(21)23(22(25)26)15-8-3-9-16-23/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/t20-/m1/s1 | Reactome pathway
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22416
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | Reactome pathway
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Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263497
((R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phe...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1ccccc1 |r| Show InChI InChI=1S/C20H23FN2O/c1-20(2)15-10-7-11-16(21)18(15)23(19(20)24)17(12-13-22-3)14-8-5-4-6-9-14/h4-11,17,22H,12-13H2,1-3H3/t17-/m1/s1 | Reactome pathway
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50124566
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)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 | PDB
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PC cid
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| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)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 | PDB
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| n/a | n/a | 277 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263500
((R)-1-(1-(3-chlorophenyl)-3-(methylamino)propyl)-7...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C20H22ClFN2O/c1-20(2)15-8-5-9-16(22)18(15)24(19(20)25)17(10-11-23-3)13-6-4-7-14(21)12-13/h4-9,12,17,23H,10-11H2,1-3H3/t17-/m1/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50245797
(3-(1H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine ...)Show InChI InChI=1S/C18H20N2/c1-19-13-11-18(15-7-3-2-4-8-15)20-14-12-16-9-5-6-10-17(16)20/h2-10,12,14,18-19H,11,13H2,1H3 | PDB
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| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263540
((R)-1-(1-(3,5-difluorophenyl)-3-(methylamino)propy...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H21F3N2O/c1-20(2)15-5-4-6-16(23)18(15)25(19(20)26)17(7-8-24-3)12-9-13(21)11-14(22)10-12/h4-6,9-11,17,24H,7-8H2,1-3H3/t17-/m1/s1 | PDB
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | Reactome pathway
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| n/a | n/a | 563 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263594
(1'-[(1S)-1-(3-fluorophenyl)-3-(methylamino)propyl]...)Show SMILES CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H27FN2O/c1-25-15-12-20(17-8-7-9-18(24)16-17)26-21-11-4-3-10-19(21)23(22(26)27)13-5-2-6-14-23/h3-4,7-11,16,20,25H,2,5-6,12-15H2,1H3/t20-/m0/s1 | PDB
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| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263541
((R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-20(2)16-11-7-8-12-18(16)22(19(20)23)17(13-14-21-3)15-9-5-4-6-10-15/h4-12,17,21H,13-14H2,1-3H3/t17-/m1/s1 | PDB
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| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263595
(1'-[(1S)-3-(methylamino)-1-phenylpropyl]-1',2'-dih...)Show SMILES CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O/c1-24-17-14-20(18-10-4-2-5-11-18)25-21-13-7-6-12-19(21)23(22(25)26)15-8-3-9-16-23/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/t20-/m0/s1 | PDB
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| n/a | n/a | 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263542
((S)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl...)Show SMILES CNCC[C@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-20(2)16-11-7-8-12-18(16)22(19(20)23)17(13-14-21-3)15-9-5-4-6-10-15/h4-12,17,21H,13-14H2,1-3H3/t17-/m0/s1 | PDB
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PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263498
((R)-7-fluoro-1-(1-(3-fluorophenyl)-3-(methylamino)...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cccc(F)c1 |r| Show InChI InChI=1S/C20H22F2N2O/c1-20(2)15-8-5-9-16(22)18(15)24(19(20)25)17(10-11-23-3)13-6-4-7-14(21)12-13/h4-9,12,17,23H,10-11H2,1-3H3/t17-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263544
(1'-[(1R)-3-(methylamino)-1-phenylpropyl]-1',2'-dih...)Show SMILES CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O/c1-24-17-14-20(18-10-4-2-5-11-18)25-21-13-7-6-12-19(21)23(22(25)26)15-8-3-9-16-23/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/t20-/m1/s1 | PDB
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263594
(1'-[(1S)-1-(3-fluorophenyl)-3-(methylamino)propyl]...)Show SMILES CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H27FN2O/c1-25-15-12-20(17-8-7-9-18(24)16-17)26-21-11-4-3-10-19(21)23(22(26)27)13-5-2-6-14-23/h3-4,7-11,16,20,25H,2,5-6,12-15H2,1H3/t20-/m0/s1 | Reactome pathway
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263497
((R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phe...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1ccccc1 |r| Show InChI InChI=1S/C20H23FN2O/c1-20(2)15-10-7-11-16(21)18(15)23(19(20)24)17(12-13-22-3)14-8-5-4-6-9-14/h4-11,17,22H,12-13H2,1-3H3/t17-/m1/s1 | PDB
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263499
((R)-1-(1-(3-chloro-5-fluorophenyl)-3-(methylamino)...)Show SMILES CNCC[C@@H](N1C(=O)C(C)(C)c2cccc(F)c12)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C20H21ClF2N2O/c1-20(2)15-5-4-6-16(23)18(15)25(19(20)26)17(7-8-24-3)12-9-13(21)11-14(22)10-12/h4-6,9-11,17,24H,7-8H2,1-3H3/t17-/m1/s1 | PDB
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PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263595
(1'-[(1S)-3-(methylamino)-1-phenylpropyl]-1',2'-dih...)Show SMILES CNCC[C@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C23H28N2O/c1-24-17-14-20(18-10-4-2-5-11-18)25-21-13-7-6-12-19(21)23(22(25)26)15-8-3-9-16-23/h2,4-7,10-13,20,24H,3,8-9,14-17H2,1H3/t20-/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50263543
(1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]...)Show SMILES CNCC[C@@H](N1C(=O)C2(CCCCC2)c2ccccc12)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H27FN2O/c1-25-15-12-20(17-8-7-9-18(24)16-17)26-21-11-4-3-10-19(21)23(22(26)27)13-5-2-6-14-23/h3-4,7-11,16,20,25H,2,5-6,12-15H2,1H3/t20-/m1/s1 | PDB
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PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50263542
((S)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl...)Show SMILES CNCC[C@H](N1C(=O)C(C)(C)c2ccccc12)c1ccccc1 |r| Show InChI InChI=1S/C20H24N2O/c1-20(2)16-11-7-8-12-18(16)22(19(20)23)17(13-14-21-3)15-9-5-4-6-10-15/h4-12,17,21H,13-14H2,1-3H3/t17-/m0/s1 | Reactome pathway
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| CHEMBL
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PC sid
UniChem
Patents
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PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK cells |
Bioorg Med Chem Lett 18: 4929-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9 |
More data for this
Ligand-Target Pair | |
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