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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 = 'BDBM50139957'   
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))
BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells


J Med Chem 47: 1122-35 (2004)


Article DOI: 10.1021/jm030384e
BindingDB Entry DOI: 10.7270/Q2154GG7
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT


J Med Chem 49: 942-6 (2006)


Article DOI: 10.1021/jm050799v
BindingDB Entry DOI: 10.7270/Q2RV0N8H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50139957
PNG
(2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)ph...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(\C=C/I)cc1)N2
Show InChI InChI=1S/C17H20INO2/c1-21-17(20)16-14(10-13-6-7-15(16)19-13)12-4-2-11(3-5-12)8-9-18/h2-5,8-9,13-16,19H,6-7,10H2,1H3/b9-8-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.0400n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-RTI-55 binding to human serotonin transporter expressed in human embryonic kidney cells


J Med Chem 47: 1122-35 (2004)


Article DOI: 10.1021/jm030384e
BindingDB Entry DOI: 10.7270/Q2154GG7
More data for this
Ligand-Target Pair