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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Norepinephrine transporter' and Ligand = 'BDBM50069447'   
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
Norepinephrine transporter


(RAT)
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Cell Mol Neurobiol 19: 467-89 (1999)


Article DOI: 10.1023/a:1006986824213
BindingDB Entry DOI: 10.7270/Q2WQ02CP
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
555n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 1305-22 (1997)


Article DOI: 10.1021/acschembio.5b00370
BindingDB Entry DOI: 10.7270/Q25Q4TMX
More data for this
Ligand-Target Pair