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BDBM50016289 CHEMBL3262786

SMILES: COc1ccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1

InChI Key: InChIKey=SZMAHJRTRLOUAZ-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016289   
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))		BDBM50016289
PNG
(CHEMBL3262786)
Show SMILES COc1ccc(Cn2cc(nn2)-c2ccc(cc2)C(=O)NCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C32H37N5O4/c1-39-28-12-6-23(7-13-28)20-37-22-29(34-35-37)24-8-10-25(11-9-24)32(38)33-15-4-5-16-36-17-14-26-18-30(40-2)31(41-3)19-27(26)21-36/h6-13,18-19,22H,4-5,14-17,20-21H2,1-3H3,(H,33,38)
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Similars
Article
PubMed
 1.26E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...

J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair