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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50164465'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50164465
PNG
(CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50164465
PNG
(CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.570n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50164465
PNG
(CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair