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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50080564   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50080564
PNG
(CHEMBL420900 | N-(3-{2-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OCCNCCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31)
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Article
PubMed
61n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding at Dopamine transporter (DAT) expressed in HEK cells


J Med Chem 42: 3647-56 (1999)


Article DOI: 10.1021/jm990161h
BindingDB Entry DOI: 10.7270/Q2BG2PPJ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50080564
PNG
(CHEMBL420900 | N-(3-{2-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OCCNCCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31)
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Article
PubMed
477n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to norepinephrine transporter (NET) expressed in HEK cells


J Med Chem 42: 3647-56 (1999)


Article DOI: 10.1021/jm990161h
BindingDB Entry DOI: 10.7270/Q2BG2PPJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50080564
PNG
(CHEMBL420900 | N-(3-{2-[Bis-(4-fluoro-phenyl)-meth...)
Show SMILES Fc1ccc(cc1)C(OCCNCCCNC(=O)Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-18-17-29-15-4-16-30-25(31)19-20-5-2-1-3-6-20/h1-3,5-14,26,29H,4,15-19H2,(H,30,31)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to serotonin transporter (SERT) expressed in HEK cells


J Med Chem 42: 3647-56 (1999)


Article DOI: 10.1021/jm990161h
BindingDB Entry DOI: 10.7270/Q2BG2PPJ
More data for this
Ligand-Target Pair