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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50386200'   
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))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
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UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50386200
PNG
(CHEMBL2043240)
Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Cephalon (France)

Curated by ChEMBL


Assay Description
Inhibition of rat NET-mediated norepinephrine reuptake


Eur J Med Chem 54: 949-51 (2012)


Article DOI: 10.1016/j.ejmech.2012.05.038
BindingDB Entry DOI: 10.7270/Q2833T23
More data for this
Ligand-Target Pair