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SMILES: COc1c(O)c(ccc1I)C(=O)NCCCCN1CCc2ccc(cc2C1)[N+]([O-])=O

InChI Key: InChIKey=UGZUMEIUUYGBKW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359589   
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


(RAT)		BDBM50359589
PNG
(CHEMBL1927696)
Show SMILES COc1c(O)c(ccc1I)C(=O)NCCCCN1CCc2ccc(cc2C1)[N+]([O-])=O
Show InChI InChI=1S/C21H24IN3O5/c1-30-20-18(22)7-6-17(19(20)26)21(27)23-9-2-3-10-24-11-8-14-4-5-16(25(28)29)12-15(14)13-24/h4-7,12,26H,2-3,8-11,13H2,1H3,(H,23,27)
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Article
PubMed
 7.47E+4n/an/an/an/an/an/an/an/a



University of Wisconsin School of Medicine and Public Health

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting

Bioorg Med Chem 19: 7435-40 (2011)


Article DOI: 10.1016/j.bmc.2011.10.046
BindingDB Entry DOI: 10.7270/Q22F7NWW
More data for this
Ligand-Target Pair