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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 = 'BDBM50029153'   
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))
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of uptake of 5-HT in rat brain cortex


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50029153
PNG
(5-Methoxy-3-(2-piperidin-4-yl-ethyl)-1H-indole | C...)
Show SMILES COc1ccc2[nH]cc(CCC3CCNCC3)c2c1
Show InChI InChI=1S/C16H22N2O/c1-19-14-4-5-16-15(10-14)13(11-18-16)3-2-12-6-8-17-9-7-12/h4-5,10-12,17-18H,2-3,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
In vivo inhibition of uptake of 5-HT in human platelets


J Med Chem 23: 1306-10 (1981)


Article DOI: 10.1021/jm00186a005
BindingDB Entry DOI: 10.7270/Q2GT5NQD
More data for this
Ligand-Target Pair