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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 = 'BDBM50532515'   
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)
BDBM50532515
PNG
(CHEMBL4470605)
Show SMILES Cl.Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r|
Show InChI InChI=1S/C15H17BrN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay


J Med Chem 59: 6329-43 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50532515
PNG
(CHEMBL4470605)
Show SMILES Cl.Brc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 |r|
Show InChI InChI=1S/C15H17BrN2O3.ClH/c16-11-3-1-5-13(7-11)19-10-14-8-15(18-21-14)20-9-12-4-2-6-17-12;/h1,3,5,7-8,12,17H,2,4,6,9-10H2;1H/t12-;/m0./s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay


J Med Chem 59: 6329-43 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00571
BindingDB Entry DOI: 10.7270/Q2K93C14
More data for this
Ligand-Target Pair