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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 = 'BDBM50319830'   
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))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
15n/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))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
24n/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))
BDBM50319830
PNG
((+)-1-(1-(4-fluorophenyl)-2-(2-(trifluoromethoxy)p...)
Show SMILES Fc1ccc(cc1)C(Cc1ccccc1OC(F)(F)F)N1CCNCC1
Show InChI InChI=1S/C19H20F4N2O/c20-16-7-5-14(6-8-16)17(25-11-9-24-10-12-25)13-15-3-1-2-4-18(15)26-19(21,22)23/h1-8,17,24H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
36n/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