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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 = 'BDBM50344428'   
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))
BDBM50344428
PNG
(CHEMBL1780003 | cis-N,N-Dibenzyl-3-methoxy-3,4-dih...)
Show SMILES COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(Cc2ccccc2)Cc2ccccc2)O1 |r,wU:13.17,10.34,(2.28,-30.3,;.94,-31.06,;.94,-32.6,;2.27,-33.38,;2.26,-34.91,;3.58,-35.67,;3.58,-37.19,;2.25,-37.96,;.93,-37.19,;.93,-35.67,;-.4,-34.9,;-1.66,-35.32,;-3.3,-34.69,;-4.06,-36.05,;-2.88,-35.63,;-1.16,-36.24,;-5.4,-35.28,;-5.4,-33.74,;-4.07,-32.96,;-2.74,-33.74,;-1.41,-32.97,;-1.41,-31.42,;-2.75,-30.66,;-4.08,-31.43,;-6.74,-36.05,;-8.07,-35.28,;-8.08,-33.74,;-9.41,-32.97,;-10.75,-33.75,;-10.74,-35.29,;-9.41,-36.05,;-.4,-33.37,)|
Show InChI InChI=1S/C29H33NO2/c1-31-28-20-25-14-8-9-15-27(25)29(32-28)18-16-26(17-19-29)30(21-23-10-4-2-5-11-23)22-24-12-6-3-7-13-24/h2-15,26,28H,16-22H2,1H3/t26-,28?,29+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer


Bioorg Med Chem 19: 3141-51 (2011)


Article DOI: 10.1016/j.bmc.2011.04.002
BindingDB Entry DOI: 10.7270/Q2D21XXP
More data for this
Ligand-Target Pair