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SMILES: COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)C)O1

InChI Key: InChIKey=QHESXFQVWOHXSA-FHQBBSRKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50344434   
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))		BDBM50344434
PNG
(CHEMBL1779998 | cis-3-Methoxy-N,N-dimethyl-3,4-dih...)
Show SMILES COC1Cc2ccccc2[C@]2(CC[C@@H](CC2)N(C)C)O1 |r,wU:10.20,13.17,(39.08,-6.58,;37.74,-7.35,;37.74,-8.9,;39.07,-9.67,;39.07,-11.22,;40.38,-11.98,;40.39,-13.5,;39.05,-14.27,;37.73,-13.5,;37.73,-11.97,;36.4,-11.21,;35.13,-11.62,;33.48,-11,;32.72,-12.36,;33.91,-11.93,;35.63,-12.55,;31.38,-11.59,;31.38,-10.04,;30.04,-12.36,;36.39,-9.67,)|
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+
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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