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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50010879'   
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


(Homo sapiens (Human))
BDBM50010879
PNG
(1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...)
Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT uptake at human SERT expressed in human JAR cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50010879
PNG
(1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...)
Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes


J Med Chem 33: 2899-905 (1990)


Article DOI: 10.1021/jm00172a035
BindingDB Entry DOI: 10.7270/Q20C4WCM
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50010879
PNG
(1-(2-(dimethylamino)-1-(3-methoxyphenyl)ethyl)cycl...)
Show SMILES COc1cccc(c1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)10-5-4-6-11-17)14-8-7-9-15(12-14)20-3/h7-9,12,16,19H,4-6,10-11,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of 5HT uptake at rat brain SERT


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair