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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 = 'BDBM50000074'   
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))
BDBM50000074
PNG
(CHEMBL142596 | [2-(3-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.840n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


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


J Med Chem 35: 38-47 (1992)


BindingDB Entry DOI: 10.7270/Q2BP01RW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50000074
PNG
(CHEMBL142596 | [2-(3-Chloro-phenyl)-ethyl]-methyl-...)
Show SMILES CN(CCN1CCCC1)CCc1cccc(Cl)c1
Show InChI InChI=1S/C15H23ClN2/c1-17(11-12-18-8-2-3-9-18)10-7-14-5-4-6-15(16)13-14/h4-6,13H,2-3,7-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair