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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50368882'   
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


(RAT)
BDBM50368882
PNG
(CHEMBL147585 | SK&F-10047 | SK-10047)
Show SMILES CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
Show InChI InChI=1S/C16H21NO/c1-3-7-17-8-6-14-11(2)16(17)9-12-4-5-13(18)10-15(12)14/h3-5,10-11,14,16,18H,1,6-9H2,2H3
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67n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site using E3H1-(+)-SKF 10047 as radioligand in rat brain


J Med Chem 37: 2285-91 (1994)


BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50368882
PNG
(CHEMBL147585 | SK&F-10047 | SK-10047)
Show SMILES CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
Show InChI InChI=1S/C16H21NO/c1-3-7-17-8-6-14-11(2)16(17)9-12-4-5-13(18)10-15(12)14/h3-5,10-11,14,16,18H,1,6-9H2,2H3
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169n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50368882
PNG
(CHEMBL147585 | SK&F-10047 | SK-10047)
Show SMILES CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
Show InChI InChI=1S/C16H21NO/c1-3-7-17-8-6-14-11(2)16(17)9-12-4-5-13(18)10-15(12)14/h3-5,10-11,14,16,18H,1,6-9H2,2H3
PDB

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4.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor was determined


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50368882
PNG
(CHEMBL147585 | SK&F-10047 | SK-10047)
Show SMILES CC1C2Cc3ccc(O)cc3C1CCN2CC=C |TLB:0:1:10.4.3:14.12.13,15:14:1:10.4.3,THB:9:10:1:14.12.13|
Show InChI InChI=1S/C16H21NO/c1-3-7-17-8-6-14-11(2)16(17)9-12-4-5-13(18)10-15(12)14/h3-5,10-11,14,16,18H,1,6-9H2,2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
4.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor was determined


J Med Chem 37: 3408-18 (1994)


BindingDB Entry DOI: 10.7270/Q2M32WD4
More data for this
Ligand-Target Pair