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BDBM50009312 CHEMBL3233537

SMILES: CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1

InChI Key: InChIKey=MMMBNCMLKRVAQA-KRWDZBQOSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50009312   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50009312
PNG
(CHEMBL3233537)
Show SMILES CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1 |r|
Show InChI InChI=1S/C18H30N2O2/c1-3-4-10-19-11-12-20(17(15-19)9-13-21)14-16-5-7-18(22-2)8-6-16/h5-8,17,21H,3-4,9-15H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
491n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain cortex membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50009312
PNG
(CHEMBL3233537)
Show SMILES CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1 |r|
Show InChI InChI=1S/C18H30N2O2/c1-3-4-10-19-11-12-20(17(15-19)9-13-21)14-16-5-7-18(22-2)8-6-16/h5-8,17,21H,3-4,9-15H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
491n/an/an/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in human RPMI8226 cell membranes after 120 mins by scintillation counting analysis


J Med Chem 57: 2884-94 (2014)


Article DOI: 10.1021/jm401707t
BindingDB Entry DOI: 10.7270/Q2T15562
More data for this
Ligand-Target Pair