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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50010884'   
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)
BDBM50010884
PNG
(1-(2-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)...)
Show SMILES CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 360n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes


J Med Chem 33: 2899-905 (1990)


BindingDB Entry DOI: 10.7270/Q20C4WCM
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50010884
PNG
(1-(2-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)...)
Show SMILES CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at rat brain norepinephrine transporter


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair