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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 = 'BDBM86238'   
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))
BDBM86238
PNG
(CAS_3050061 | MDA,S(+) | NSC_3050061)
Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Mol Pharmacol 63: 1223-9 (2003)


Article DOI: 10.1124/mol.63.6.1223
BindingDB Entry DOI: 10.7270/Q2FN14SJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86238
PNG
(CAS_3050061 | MDA,S(+) | NSC_3050061)
Show SMILES C[C@H](N)Cc1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method


J Med Chem 60: 2605-2628 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00085
BindingDB Entry DOI: 10.7270/Q2DJ5HWM
More data for this
Ligand-Target Pair