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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50137628'   
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))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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Article
PubMed
2.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari ALDO MORO

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor in guinea pig brain after 30 mins by radioligand binding assay


Eur J Med Chem 46: 4733-41 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.057
BindingDB Entry DOI: 10.7270/Q2B56KQ5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Mus musculus (Mouse))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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Article
PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 5-bromo-N-(4-(3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)butyl)-2,3-dimethoxybenzamide from sigma-1 receptor in mouse EMT6 cell me...


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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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Article
PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Guangdong Medical University

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 receptor (unknown origin)


Eur J Med Chem 147: 227-237 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.016
BindingDB Entry DOI: 10.7270/Q2SQ92XB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
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Article
PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to sigma-1 opioid receptor (unknown origin)


J Med Chem 56: 7137-60 (2013)


Article DOI: 10.1021/jm301545c
BindingDB Entry DOI: 10.7270/Q22R3T54
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50137628
PNG
(CHEMBL1830682 | CHEMBL60048 | N-(4-(6,7-dimethoxy-...)
Show SMILES COc1ccc(C)cc1C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H32N2O4/c1-17-7-8-21(28-2)20(13-17)24(27)25-10-5-6-11-26-12-9-18-14-22(29-3)23(30-4)15-19(18)16-26/h7-8,13-15H,5-6,9-12,16H2,1-4H3,(H,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of [3H]-(+)-pentazocine binding to Sigma opioid receptor of guiena pig brain membrane


Bioorg Med Chem Lett 14: 195-202 (2003)


BindingDB Entry DOI: 10.7270/Q2CV4H45
More data for this
Ligand-Target Pair