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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50053648'   
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)
BDBM50053648
PNG
((R)-3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-...)
Show SMILES CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3
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KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against radioligand [3H]-nisoxatine binding to norepinephrine transporter (NET) in rat cortical tissue


J Med Chem 40: 3861-4 (1998)


Article DOI: 10.1021/jm970492z
BindingDB Entry DOI: 10.7270/Q2GX4C7G
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50053648
PNG
((R)-3-(4-Ethyl-phenyl)-8-aza-bicyclo[3.2.1]octane-...)
Show SMILES CCc1ccc(cc1)C1CC2CCC(N2)C1C(=O)OC |THB:16:15:14:12.11,5:8:14:12.11|
Show InChI InChI=1S/C17H23NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h4-7,13-16,18H,3,8-10H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to the norepinephrine transporter in rat midbrain.


J Med Chem 39: 4027-35 (1996)


Article DOI: 10.1021/jm960409s
BindingDB Entry DOI: 10.7270/Q22B8ZNT
More data for this
Ligand-Target Pair