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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50048168   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50048168
PNG
(CHEMBL3310478)
Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay


Bioorg Med Chem Lett 24: 3234-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.026
BindingDB Entry DOI: 10.7270/Q2DV1MHH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50048168
PNG
(CHEMBL3310478)
Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay


Bioorg Med Chem Lett 24: 3234-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.026
BindingDB Entry DOI: 10.7270/Q2DV1MHH
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50048168
PNG
(CHEMBL3310478)
Show SMILES Fc1ccc(OC(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H16Cl2FNO/c18-15-6-1-12(8-16(15)19)17(7-11-9-21-10-11)22-14-4-2-13(20)3-5-14/h1-6,8,11,17,21H,7,9-10H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 129n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay


Bioorg Med Chem Lett 24: 3234-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.026
BindingDB Entry DOI: 10.7270/Q2DV1MHH
More data for this
Ligand-Target Pair