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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50124566'   
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
Transporter


(Rattus norvegicus (rat))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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PC sid
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Article
PubMed
0.690n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins


Bioorg Med Chem 22: 311-24 (2013)


Article DOI: 10.1016/j.bmc.2013.11.017
BindingDB Entry DOI: 10.7270/Q2FB54D1
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
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KEGG

UniProtKB/TrEMBL

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AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
13.7n/an/an/an/an/an/an/an/a



FAES FARMA S A

Curated by ChEMBL


Assay Description
Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats


J Med Chem 46: 5512-32 (2003)


Article DOI: 10.1021/jm0309349
BindingDB Entry DOI: 10.7270/Q2QF8TMN
More data for this
Ligand-Target Pair