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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 = 'BDBM50021237'   
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))
BDBM50021237
PNG
(CHEMBL300185 | CHEMBL555597 | [6-Fluoro-3-(4-fluor...)
Show SMILES CN(C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)17/h3-9,15,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021237
PNG
(CHEMBL300185 | CHEMBL555597 | [6-Fluoro-3-(4-fluor...)
Show SMILES CN(C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C17H17F2N/c1-20(2)17-10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)17/h3-9,15,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 28: 1817-28 (1986)


BindingDB Entry DOI: 10.7270/Q29W0G1M
More data for this
Ligand-Target Pair