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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50490606   
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))
BDBM50490606
PNG
(CHEMBL2338039)
Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H20ClNO/c1-13-11-16(19)7-8-17(13)21-18(15-9-10-20-12-15)14-5-3-2-4-6-14/h2-8,11,15,18,20H,9-10,12H2,1H3/t15-,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake


Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50490606
PNG
(CHEMBL2338039)
Show SMILES [H][C@@]1(CCNC1)[C@@H](Oc1ccc(Cl)cc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H20ClNO/c1-13-11-16(19)7-8-17(13)21-18(15-9-10-20-12-15)14-5-3-2-4-6-14/h2-8,11,15,18,20H,9-10,12H2,1H3/t15-,18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptake


Bioorg Med Chem Lett 23: 1456-61 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.061
BindingDB Entry DOI: 10.7270/Q2XD14M7
More data for this
Ligand-Target Pair