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Compile Data Set for Download or QSAR
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Found
12
Enz. Inhib. hit(s) with all data for entry = 5172
Target
Sodium-dependent serotonin transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM22416
(PAROXETINE | CHEMBL490 | (3S,4R)-3-[(1,3-benzodiox...)
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Affinity Data
Ki: 0.0400nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
PDB
3D Structure (crystal)
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Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM35229
(Desmethylimipramine | 3-(10,11-dihydro-5H-dibenzo[...)
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Copy InChI
Affinity Data
Ki: 0.550nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Sodium-dependent serotonin transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM84745
(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
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Copy InChI
Affinity Data
Ki: 1.80nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM84745
(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 3nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Sodium-dependent serotonin transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM50029150
(CHEMBL276520 | 3-(2-Piperidin-4-yl-ethyl)-1H-indol...)
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Copy InChI
Affinity Data
Ki: 5nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
PC cid
PC sid
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Sodium-dependent serotonin transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 6.70nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
PDB
3D Structure (crystal)
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM22416
(PAROXETINE | CHEMBL490 | (3S,4R)-3-[(1,3-benzodiox...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 11.8nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Sodium-dependent serotonin transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM82071
(NSC_62923 | WY-45030 | VENLAFAXINE | CAS_93413-69-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 74nM
More data for this Ligand-Target Pair
Target Info
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
KEGG
PC cid
PC sid
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM30130
(Prozac | cid_62857 | Fluoxetin | CHEMBL41 | CHEMBL...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 119nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM82071
(NSC_62923 | WY-45030 | VENLAFAXINE | CAS_93413-69-...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.26E+3nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
DrugBank
KEGG
PC cid
PC sid
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 1.36E+3nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
KEGG
PC cid
PC sid
PDB
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL
Target
Norepinephrine transporter
(Rat)
Mcgill University
Curated by
PDSP K
i
Database
Ligand
BDBM50029150
(CHEMBL276520 | 3-(2-Piperidin-4-yl-ethyl)-1H-indol...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 2.76E+3nM
More data for this Ligand-Target Pair
Target Info
UniProtKB/TrEMBL
GoogleScholar
Ligand Info
Purchase
ChEBI
CHEMBL
DrugBank
PC cid
PC sid
Similars
In Depth
Date in BDB:
3/27/2012
Entry Details
Article
Copy Entry DOI
PubMed
Copy Rxn URL