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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50188062'   
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))
BDBM50188062
PNG
(1-(1-phenyl-2-(2-(trifluoromethoxy)phenyl)ethyl)pi...)
Show SMILES FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,17,23H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3788-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.052
BindingDB Entry DOI: 10.7270/Q2SN09X4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50188062
PNG
(1-(1-phenyl-2-(2-(trifluoromethoxy)phenyl)ethyl)pi...)
Show SMILES FC(F)(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)25-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)24-12-10-23-11-13-24/h1-9,17,23H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4345-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.051
BindingDB Entry DOI: 10.7270/Q2H99608
More data for this
Ligand-Target Pair