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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 = 'BDBM50191634'   
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


(Rattus norvegicus (rat))
BDBM50191634
PNG
(CHEMBL210348 | rac-3-{ethyl[2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C22H23F2N3O2/c1-2-27(8-7-13-11-26-20-6-3-14(23)9-17(13)20)15-10-18-16(22(25)28)4-5-19(24)21(18)29-12-15/h3-6,9,11,15,26H,2,7-8,10,12H2,1H3,(H2,25,28)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
60.2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50191634
PNG
(CHEMBL210348 | rac-3-{ethyl[2-(5-fluoro-1H-indol-3...)
Show SMILES CCN(CCc1c[nH]c2ccc(F)cc12)C1COc2c(F)ccc(C(N)=O)c2C1
Show InChI InChI=1S/C22H23F2N3O2/c1-2-27(8-7-13-11-26-20-6-3-14(23)9-17(13)20)15-10-18-16(22(25)28)4-5-19(24)21(18)29-12-15/h3-6,9,11,15,26H,2,7-8,10,12H2,1H3,(H2,25,28)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 883n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair