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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50016287'   
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))
BDBM50016287
PNG
(CHEMBL3262784)
Show SMILES COc1ccccc1Cn1cc(nn1)-c1ccc(cc1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C32H37N5O4/c1-39-29-9-5-4-8-26(29)21-37-22-28(34-35-37)23-10-12-24(13-11-23)32(38)33-15-6-7-16-36-17-14-25-18-30(40-2)31(41-3)19-27(25)20-36/h4-5,8-13,18-19,22H,6-7,14-17,20-21H2,1-3H3,(H,33,38)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.58E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...


J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair