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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 = 'BDBM50262411'   
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))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
BindingDB Entry DOI: 10.7270/Q2JQ115V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4355-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.071
BindingDB Entry DOI: 10.7270/Q2GH9HRM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 18: 4308-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.078
BindingDB Entry DOI: 10.7270/Q2Q2401S
More data for this
Ligand-Target Pair