Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50030518 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)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 2.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | PDB
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| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | Reactome pathway
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| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | Reactome pathway
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| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | NCI pathway
Reactome pathway
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PubMed
| 5.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
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
| 5.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | PDB
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PubMed
| 7.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | PDB
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PubMed
| 7.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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PDB
Article
PubMed
| 7.57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297421
(CHEMBL558525 | N-methyl-1-((1R,2R)-2-(naphthalen-1...)Show SMILES CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m1/s1 | Reactome pathway
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| 27.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50297421
(CHEMBL558525 | N-methyl-1-((1R,2R)-2-(naphthalen-1...)Show SMILES CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m1/s1 | PDB
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| 30.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50297419
(CHEMBL558065 | N-methyl-1-((1S,2R)-2-(naphthalen-1...)Show SMILES CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m0/s1 | PDB
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| 33.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 75.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | Reactome pathway
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| 75.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50297419
(CHEMBL558065 | N-methyl-1-((1S,2R)-2-(naphthalen-1...)Show SMILES CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m0/s1 | Reactome pathway
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| 153 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | NCI pathway
Reactome pathway
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| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297420
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1 | NCI pathway
Reactome pathway
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PubMed
| 283 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | NCI pathway
Reactome pathway
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PubMed
| 586 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297418
((E)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)Show SMILES CNC[C@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m1/s1 | NCI pathway
Reactome pathway
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PubMed
| 586 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297419
(CHEMBL558065 | N-methyl-1-((1S,2R)-2-(naphthalen-1...)Show SMILES CNC[C@@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19+/m0/s1 | NCI pathway
Reactome pathway
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| 913 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50297421
(CHEMBL558525 | N-methyl-1-((1R,2R)-2-(naphthalen-1...)Show SMILES CNC[C@H]1C[C@]1(Oc1cccc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter |
J Med Chem 52: 5872-9 (2009)
Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR |
More data for this
Ligand-Target Pair | |
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