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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50010743'   
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))
BDBM50010743
PNG
(N,N'-Di-p-tolyl-guanidine)
Show SMILES Cc1ccc(NC(N)=Nc2ccc(C)cc2)cc1 |w:8.8|
Show InChI InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
PDB

UniProtKB/SwissProt

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PubMed
3.10n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against sigma-1 binding site in guinea pig,using [3H]- -(+)- Pentazocine


J Med Chem 36: 566-71 (1993)


BindingDB Entry DOI: 10.7270/Q2DV1KH3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010743
PNG
(N,N'-Di-p-tolyl-guanidine)
Show SMILES Cc1ccc(NC(N)=Nc2ccc(C)cc2)cc1 |w:8.8|
Show InChI InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 535n/an/an/an/an/an/a



University of Oregon

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates


J Med Chem 33: 2421-9 (1990)


BindingDB Entry DOI: 10.7270/Q25Q4WQ3
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010743
PNG
(N,N'-Di-p-tolyl-guanidine)
Show SMILES Cc1ccc(NC(N)=Nc2ccc(C)cc2)cc1 |w:8.8|
Show InChI InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 535n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the concentration required to inhibit specific [3H]-DTG radioligand binding to sigma receptor on guinea pig brain membrane


J Med Chem 37: 260-7 (1994)


BindingDB Entry DOI: 10.7270/Q2HX1BRZ
More data for this
Ligand-Target Pair