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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 = 'BDBM50294257'   
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))
BDBM50294257
PNG
(2-((2,3-dichlorophenoxy)((S)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50294257
PNG
(2-((2,3-dichlorophenoxy)((S)-pyrrolidin-3-yl)methy...)
Show SMILES Clc1cccc(OC([C@H]2CCNC2)c2ccccn2)c1Cl |r|
Show InChI InChI=1S/C16H16Cl2N2O/c17-12-4-3-6-14(15(12)18)21-16(11-7-9-19-10-11)13-5-1-2-8-20-13/h1-6,8,11,16,19H,7,9-10H2/t11-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 2829-34 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.090
BindingDB Entry DOI: 10.7270/Q2HX1CQX
More data for this
Ligand-Target Pair