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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoamine transporters; Norepinephrine & serotonin' and Ligand = 'BDBM50160894'   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50160894
PNG
(8-Methyl-3-(4-thiophen-2-yl-phenyl)-8-aza-bicyclo[...)
Show SMILES COC(=O)C1C2CCC(CC1c1ccc(cc1)-c1cccs1)N2C |TLB:23:22:4.10.9:6.7,THB:2:4:22:6.7,11:10:22:6.7|
Show InChI InChI=1S/C20H23NO2S/c1-21-15-9-10-17(21)19(20(22)23-2)16(12-15)13-5-7-14(8-6-13)18-4-3-11-24-18/h3-8,11,15-17,19H,9-10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.150n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from serotonin transporter of rat cerebral cortex


Bioorg Med Chem Lett 15: 1131-3 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.014
BindingDB Entry DOI: 10.7270/Q2PK0GXK
More data for this
Ligand-Target Pair