Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50038195 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50160246
((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...)Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50199005
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373031
(CHEMBL411263)Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373028
(CHEMBL411262)Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373029
(CHEMBL272002)Show SMILES COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO4/c1-22-19(21)15-9-5-6-10-16(15)24-18(14-7-3-2-4-8-14)17-13-20-11-12-23-17/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373030
(CHEMBL270099)Show SMILES COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO3S/c1-22-19(21)15-9-5-6-10-17(15)24-18(14-7-3-2-4-8-14)16-13-20-11-12-23-16/h2-10,16,18,20H,11-13H2,1H3/t16-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373032
(CHEMBL272003)Show InChI InChI=1S/C18H21NO2S/c1-22-17-10-6-5-9-15(17)21-18(14-7-3-2-4-8-14)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.06 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50160246
((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...)Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373032
(CHEMBL272003)Show InChI InChI=1S/C18H21NO2S/c1-22-17-10-6-5-9-15(17)21-18(14-7-3-2-4-8-14)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 90.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373028
(CHEMBL411262)Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50199005
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373030
(CHEMBL270099)Show SMILES COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO3S/c1-22-19(21)15-9-5-6-10-17(15)24-18(14-7-3-2-4-8-14)16-13-20-11-12-23-16/h2-10,16,18,20H,11-13H2,1H3/t16-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373029
(CHEMBL272002)Show SMILES COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO4/c1-22-19(21)15-9-5-6-10-16(15)24-18(14-7-3-2-4-8-14)17-13-20-11-12-23-17/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 614 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373031
(CHEMBL411263)Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 733 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50373029
(CHEMBL272002)Show SMILES COC(=O)c1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO4/c1-22-19(21)15-9-5-6-10-16(15)24-18(14-7-3-2-4-8-14)17-13-20-11-12-23-17/h2-10,17-18,20H,11-13H2,1H3/t17-,18-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50160246
((2S,3S)-2-[alpha-(2-methoxyphenylthio)phenylmethyl...)Show InChI InChI=1S/C18H21NO2S/c1-20-15-9-5-6-10-17(15)22-18(14-7-3-2-4-8-14)16-13-19-11-12-21-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50373032
(CHEMBL272003)Show InChI InChI=1S/C18H21NO2S/c1-22-17-10-6-5-9-15(17)21-18(14-7-3-2-4-8-14)16-13-19-11-12-20-16/h2-10,16,18-19H,11-13H2,1H3/t16-,18-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50373028
(CHEMBL411262)Show InChI InChI=1S/C20H24FNO2S/c21-11-6-13-23-17-9-4-5-10-19(17)25-20(16-7-2-1-3-8-16)18-15-22-12-14-24-18/h1-5,7-10,18,20,22H,6,11-15H2/t18-,20-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50373031
(CHEMBL411263)Show InChI InChI=1S/C19H22FNO2S/c20-10-12-22-16-8-4-5-9-18(16)24-19(15-6-2-1-3-7-15)17-14-21-11-13-23-17/h1-9,17,19,21H,10-14H2/t17-,19-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50199005
((S)-2-((S)-(2-methoxyphenoxy)(phenyl)methyl)morpho...)Show SMILES COc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50373030
(CHEMBL270099)Show SMILES COC(=O)c1ccccc1S[C@H]([C@@H]1CNCCO1)c1ccccc1 Show InChI InChI=1S/C19H21NO3S/c1-22-19(21)15-9-5-6-10-17(15)24-18(14-7-3-2-4-8-14)16-13-20-11-12-23-16/h2-10,16,18,20H,11-13H2,1H3/t16-,18-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125]RTI35 from human DAT expressed in canine kidney cells |
Bioorg Med Chem 16: 783-93 (2008)
Article DOI: 10.1016/j.bmc.2007.10.025
BindingDB Entry DOI: 10.7270/Q2F76DF4 |
More data for this
Ligand-Target Pair | |
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