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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 = 'BDBM50021222'   
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))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50021222
PNG
(CHEMBL53837 | [3-(3,4-Dichloro-phenyl)-6-methoxy-i...)
Show SMILES COc1ccc2C(CC(N(C)C)c2c1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2NO/c1-21(2)18-10-14(11-4-7-16(19)17(20)8-11)13-6-5-12(22-3)9-15(13)18/h4-9,14,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/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