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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 = 'BDBM50336568'   
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))
BDBM50336568
PNG
((+)-(R)-4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2[C@@H](CCCc12)NCCN1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H37N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h6,9,12,19,22,24H,2-5,7-8,10-11,13-18H2,1H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum


J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50336568
PNG
((+)-(R)-4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetra...)
Show SMILES COc1cccc2[C@@H](CCCc12)NCCN1CCN(CC1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H37N3O/c1-27-23-12-6-9-20-21(23)10-5-11-22(20)24-13-14-25-15-17-26(18-16-25)19-7-3-2-4-8-19/h6,9,12,19,22,24H,2-5,7-8,10-11,13-18H2,1H3/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin guinea pig brain membrane without cerebellum


J Med Chem 54: 1022-32 (2011)


Article DOI: 10.1021/jm1013133
BindingDB Entry DOI: 10.7270/Q20V8D3K
More data for this
Ligand-Target Pair