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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 = 'BDBM50021208'   
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))
BDBM50021208
PNG
(CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.280n/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))
BDBM50021208
PNG
(CHEMBL545671 | [3-(4-Bromo-phenyl)-indan-1-yl]-met...)
Show SMILES CNC1CC(c2ccccc12)c1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrN/c1-18-16-10-15(11-6-8-12(17)9-7-11)13-4-2-3-5-14(13)16/h2-9,15-16,18H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.280n/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