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SMILES: COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1O

InChI Key: InChIKey=CLMJAYRRLQGJOI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359590   
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)		BDBM50359590
PNG
(CHEMBL1927697)
Show SMILES COc1cccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c1O
Show InChI InChI=1S/C21H25N3O5/c1-29-19-6-4-5-18(20(19)25)21(26)22-10-2-3-11-23-12-9-15-7-8-17(24(27)28)13-16(15)14-23/h4-8,13,25H,2-3,9-12,14H2,1H3,(H,22,26)
PDB

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Similars
Article
PubMed
 1.12E+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