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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 = 'BDBM50295428'   
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)
BDBM50295428
PNG
(3-[3-[N-(4-Chlorobenzyl)-N-methylamino]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-9-15(19)10-8-14)11-4-12-21-16-5-2-3-6-17(16)23-18(21)22/h2-3,5-10H,4,11-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 opioid receptor in rat liver homogenate by liquid scintillation counting


ACS Med Chem Lett 2: 834-839 (2011)


Article DOI: 10.1021/ml2001505
BindingDB Entry DOI: 10.7270/Q2RR208C
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50295428
PNG
(3-[3-[N-(4-Chlorobenzyl)-N-methylamino]propyl]benz...)
Show SMILES CN(CCCn1c2ccccc2oc1=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2O2/c1-20(13-14-7-9-15(19)10-8-14)11-4-12-21-16-5-2-3-6-17(16)23-18(21)22/h2-3,5-10H,4,11-13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting


J Med Chem 52: 5380-93 (2009)


Article DOI: 10.1021/jm900366z
BindingDB Entry DOI: 10.7270/Q2ZP4712
More data for this
Ligand-Target Pair