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BDBM50359593 CHEMBL1927700

SMILES: COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)Cc2cc1OC

InChI Key: InChIKey=SIUGTNMGLMBNFZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50359593   
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)		BDBM50359593
PNG
(CHEMBL1927700)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)[N+]([O-])=O)Cc2cc1OC
Show InChI InChI=1S/C22H27N3O5/c1-29-20-13-17-9-12-24(15-18(17)14-21(20)30-2)11-4-3-10-23-22(26)16-5-7-19(8-6-16)25(27)28/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,26)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.47E+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