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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50000066'   
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
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50000066
PNG
((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...)
Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



University of Illinois at Chicago 60607-7061

Curated by ChEMBL


Assay Description
Inhibition of [3H]-NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum


J Med Chem 41: 468-77 (1998)


Article DOI: 10.1021/jm970059p
BindingDB Entry DOI: 10.7270/Q27W6CW7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000066
PNG
((2-Azepan-1-yl-ethyl)-[2-(3,4-dichloro-phenyl)-eth...)
Show SMILES CN(CCN1CCCCCC1)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H26Cl2N2/c1-20(12-13-21-9-4-2-3-5-10-21)11-8-15-6-7-16(18)17(19)14-15/h6-7,14H,2-5,8-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.170n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes


J Med Chem 35: 38-47 (1992)


Article DOI: 10.1021/jm00079a004
BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair