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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 = 'BDBM50058020'   
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


(Homo sapiens (Human))
BDBM50058020
PNG
(4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-ben...)
Show SMILES I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C16H19IN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h1-5,8,15H,6-7,9-11,13H2/b8-1+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals Beijing Normal University

Curated by ChEMBL


Assay Description
Binding affinity to human brain sigma1 receptor


J Med Chem 56: 3478-91 (2013)


Article DOI: 10.1021/jm301734g
BindingDB Entry DOI: 10.7270/Q28W3FN3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50058020
PNG
(4-[1-((E)-3-Iodo-allyl)-piperidin-4-ylmethoxy]-ben...)
Show SMILES I\C=C\CN1CCC(COc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C16H19IN2O/c17-8-1-9-19-10-6-15(7-11-19)13-20-16-4-2-14(12-18)3-5-16/h1-5,8,15H,6-7,9-11,13H2/b8-1+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.670n/an/an/an/an/an/an/an/a



ANSTO

Curated by ChEMBL


Assay Description
Receptor binding affinity against Sigma-1 receptor from guinea pig membranes


J Med Chem 40: 1657-67 (1997)


Article DOI: 10.1021/jm960720+
BindingDB Entry DOI: 10.7270/Q29G5KX8
More data for this
Ligand-Target Pair