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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 = 'BDBM50151272'   
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))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.740n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes after 150 mins by scintillation counting analysis


ACS Med Chem Lett 11: 1028-1034 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.741n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair