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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 = 'BDBM50021219'   
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))
BDBM50021219
PNG
(CHEMBL553648 | [3-(2,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-15(12-5-3-4-6-14(12)17)13-8-7-11(18)9-16(13)19/h3-9,15,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.0300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine 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))
BDBM50021219
PNG
(CHEMBL553648 | [3-(2,4-Dichloro-phenyl)-indan-1-yl...)
Show SMILES CN(C)C1CC(c2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N/c1-20(2)17-10-15(12-5-3-4-6-14(12)17)13-8-7-11(18)9-16(13)19/h3-9,15,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.0300n/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