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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50065637'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50065637
PNG
(CHEMBL3401453)
Show SMILES COc1cc2CCN(CCCCCCNc3cc(ccc3C(N)=O)-n3nc(C)c4c3CC(C)(C)CC4=O)Cc2cc1OC
Show InChI InChI=1S/C34H45N5O4/c1-22-32-28(19-34(2,3)20-29(32)40)39(37-22)25-10-11-26(33(35)41)27(18-25)36-13-8-6-7-9-14-38-15-12-23-16-30(42-4)31(43-5)17-24(23)21-38/h10-11,16-18,36H,6-9,12-15,19-21H2,1-5H3,(H2,35,41)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Guangdong Medical College

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain homogenate after 120 mins by beta counting

Bioorg Med Chem 23: 1463-71 (2015)


Article DOI: 10.1016/j.bmc.2015.02.012
BindingDB Entry DOI: 10.7270/Q24Q7WPG
More data for this
Ligand-Target Pair