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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 = 'BDBM50191621'   
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))
BDBM50191621
PNG
(CHEMBL379298 | rac-3-{(cyclopropylmethyl)[2-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
97.8n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50191621
PNG
(CHEMBL379298 | rac-3-{(cyclopropylmethyl)[2-(5-flu...)
Show SMILES NC(=O)c1ccc(F)c2OCC(Cc12)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
Show InChI InChI=1S/C24H25F2N3O2/c25-16-3-6-22-19(9-16)15(11-28-22)7-8-29(12-14-1-2-14)17-10-20-18(24(27)30)4-5-21(26)23(20)31-13-17/h3-6,9,11,14,17,28H,1-2,7-8,10,12-13H2,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells


J Med Chem 49: 4785-9 (2006)


Article DOI: 10.1021/jm060218h
BindingDB Entry DOI: 10.7270/Q261114D
More data for this
Ligand-Target Pair