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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 = 'BDBM50540828'   
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


(Homo sapiens (Human))		BDBM50540828
PNG
(CHEMBL4633444)
Show SMILES OC(=O)C(O)=O.OC(=O)C(O)=O.CC1(C)SCC(CN2CCN(Cc3ccccc3)CC2)S1
Show InChI InChI=1S/C17H26N2S2.2C2H2O4/c1-17(2)20-14-16(21-17)13-19-10-8-18(9-11-19)12-15-6-4-3-5-7-15;2*3-1(4)2(5)6/h3-7,16H,8-14H2,1-2H3;2*(H,3,4)(H,5,6)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.600n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from human Sigma 1 receptor by radioligand displacement assay

ACS Med Chem Lett 11: 1028-1034 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00129
BindingDB Entry DOI: 10.7270/Q2833WKN
More data for this
Ligand-Target Pair