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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50255709'   
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))
BDBM50255709
PNG
(9-(4-(Dimethylamino)benzyl)-9-azabicyclo[3.3.1]non...)
Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18|
Show InChI InChI=1S/C26H35N3O3/c1-18-8-13-25(31-4)24(14-18)27-26(30)32-23-15-21-6-5-7-22(16-23)29(21)17-19-9-11-20(12-10-19)28(2)3/h8-14,21-23H,5-7,15-17H2,1-4H3,(H,27,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.44E+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-type opioid receptor in guinea pig brain homogenates


Bioorg Med Chem 17: 1222-31 (2009)


Article DOI: 10.1016/j.bmc.2008.12.025
BindingDB Entry DOI: 10.7270/Q2NP249V
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50255709
PNG
(9-(4-(Dimethylamino)benzyl)-9-azabicyclo[3.3.1]non...)
Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccc(cc1)N(C)C |TLB:12:13:21:16.17.18|
Show InChI InChI=1S/C26H35N3O3/c1-18-8-13-25(31-4)24(14-18)27-26(30)32-23-15-21-6-5-7-22(16-23)29(21)17-19-9-11-20(12-10-19)28(2)3/h8-14,21-23H,5-7,15-17H2,1-4H3,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.44E+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