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BDBM50016294 CHEMBL3262791

SMILES: COc1ccc(cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1)-n1cc(nn1)-c1cncn1C

InChI Key: InChIKey=DHBXXQLHAFZLFT-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016294   
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))		BDBM50016294
PNG
(CHEMBL3262791)
Show SMILES COc1ccc(cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1)-n1cc(nn1)-c1cncn1C
Show InChI InChI=1S/C29H35N7O4/c1-34-19-30-16-25(34)24-18-36(33-32-24)22-7-8-26(38-2)23(15-22)29(37)31-10-5-6-11-35-12-9-20-13-27(39-3)28(40-4)14-21(20)17-35/h7-8,13-16,18-19H,5-6,9-12,17H2,1-4H3,(H,31,37)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6.36E+3n/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