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SMILES: COC1Cc2ccncc2C2(CCN(CC3CCCCC3)CC2)O1

InChI Key: InChIKey=SWSJUYABMPEAQM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50045429   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50045429
PNG
(CHEMBL3309265)
Show SMILES COC1Cc2ccncc2C2(CCN(CC3CCCCC3)CC2)O1
Show InChI InChI=1S/C20H30N2O2/c1-23-19-13-17-7-10-21-14-18(17)20(24-19)8-11-22(12-9-20)15-16-5-3-2-4-6-16/h7,10,14,16,19H,2-6,8-9,11-13,15H2,1H3
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Article
PubMed
 11n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster

Curated by ChEMBL


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

Bioorg Med Chem 22: 4277-84 (2014)


Article DOI: 10.1016/j.bmc.2014.05.033
BindingDB Entry DOI: 10.7270/Q29C702R
More data for this
Ligand-Target Pair