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SMILES: CCCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O

InChI Key: InChIKey=VHZDLNTUGWOWEU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466974   
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


(RAT)
BDBM50466974
PNG
(CHEMBL4285413)
Show SMILES CCCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C20H32N2O/c1-3-4-8-13-22(18(2)23)17-20-11-14-21(15-12-20)16-19-9-6-5-7-10-19/h5-7,9-10,20H,3-4,8,11-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
17n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in rat liver membranes after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 28: 3206-3209 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.016
BindingDB Entry DOI: 10.7270/Q2QN69FH
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50466974
PNG
(CHEMBL4285413)
Show SMILES CCCCCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O
Show InChI InChI=1S/C20H32N2O/c1-3-4-8-13-22(18(2)23)17-20-11-14-21(15-12-20)16-19-9-6-5-7-10-19/h5-7,9-10,20H,3-4,8,11-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 28: 3206-3209 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.016
BindingDB Entry DOI: 10.7270/Q2QN69FH
More data for this
Ligand-Target Pair