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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 = 'BDBM50179264'   
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


(Cavia porcellus (Guinea pig))
BDBM50179264
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-2,2-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h8,10-13,17H,4-7,9,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum by competition binding assay


Bioorg Med Chem 21: 1865-9 (2013)


Article DOI: 10.1016/j.bmc.2013.01.034
BindingDB Entry DOI: 10.7270/Q2S75HP7
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50179264
PNG
(1-(4-(6-methoxynaphthalen-1-yl)butyl)-2,2-dimethyl...)
Show SMILES COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1
Show InChI InChI=1S/C22H31NO/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19/h8,10-13,17H,4-7,9,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22.2n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes


J Med Chem 48: 8237-44 (2005)


Article DOI: 10.1021/jm050654o
BindingDB Entry DOI: 10.7270/Q2MP542J
More data for this
Ligand-Target Pair