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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 = 'BDBM50344433'   
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))		BDBM50344433
PNG
(CHEMBL1779997 | trans-3-Methoxy-N,N-dimethyl-3,4-d...)
Show SMILES COC1Cc2ccccc2[C@@]2(CC[C@@H](CC2)N(C)C)O1 |r,wU:10.20,wD:13.17,(24.05,-6.81,;22.71,-7.59,;22.7,-9.14,;24.04,-9.91,;24.03,-11.45,;25.35,-12.22,;25.35,-13.75,;24.02,-14.52,;22.7,-13.75,;22.7,-12.22,;21.36,-11.45,;20.59,-12.8,;18.87,-12.18,;17.67,-12.6,;18.44,-11.24,;20.09,-11.87,;17.66,-14.15,;16.32,-14.92,;19,-14.93,;21.36,-9.9,)|
Show InChI InChI=1S/C17H25NO2/c1-18(2)14-8-10-17(11-9-14)15-7-5-4-6-13(15)12-16(19-3)20-17/h4-7,14,16H,8-12H2,1-3H3/t14-,16?,17-
PDB

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PC cid
PC sid
UniChem

Similars
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