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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 = 'BDBM50026953'   
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))
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50026953
PNG
((cis) 3-{4-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-pi...)
Show SMILES OCCCN1CCN(CC1)C1CC(c2ccccc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H26Cl2N2O/c23-20-7-6-16(14-21(20)24)19-15-22(18-5-2-1-4-17(18)19)26-11-9-25(10-12-26)8-3-13-27/h1-2,4-7,14,19,22,27H,3,8-13,15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)


J Med Chem 26: 935-47 (1983)


BindingDB Entry DOI: 10.7270/Q2JH3MR6
More data for this
Ligand-Target Pair