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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50094796'   
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))
BDBM50094796
PNG
(CHEMBL541602 | [3-(3,4-Dichloro-phenyl)-7-methoxy-...)
Show SMILES CN[C@@H]1CC(c2cccc(OC)c12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H17Cl2NO/c1-20-15-9-12(10-6-7-13(18)14(19)8-10)11-4-3-5-16(21-2)17(11)15/h3-8,12,15,20H,9H2,1-2H3/t12?,15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
108n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for serotonin transporter labeled with [125 I]RTI-55


J Med Chem 43: 4868-76 (2000)


BindingDB Entry DOI: 10.7270/Q2639QD0
More data for this
Ligand-Target Pair