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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 = 'BDBM50319818'   
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))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
6n/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))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8n/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))
BDBM50319818
PNG
((+)-1-(2-(2-(difluoromethoxy)phenyl)-1-phenylethyl...)
Show SMILES FC(F)Oc1ccccc1CC(N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22F2N2O/c20-19(21)24-18-9-5-4-8-16(18)14-17(15-6-2-1-3-7-15)23-12-10-22-11-13-23/h1-9,17,19,22H,10-14H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
27n/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