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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 = 'BDBM82353'   
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))
BDBM82353
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
264 -39.1n/an/an/an/an/a7.437



Yeditepe University



Assay Description
The test was performed with the radioligand [3H]-(+)-pentazocine (42.5 Ci/mmol) from Perkin Elmer.


Chem Biol Drug Des 78: 869-75 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01215.x
BindingDB Entry DOI: 10.7270/Q2513WQT
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM82353
PNG
(1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...)
Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1
Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair