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BDBM50495530 CHEMBL3116458

SMILES: Cl.CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(OC)cc1

InChI Key: InChIKey=BXYUNBOQOHPQCP-UHFFFAOYSA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50495530   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma opioid receptor


(RAT)
BDBM50495530
PNG
(CHEMBL3116458)
Show SMILES Cl.CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H29ClN2O2/c1-3-26(23(27)20-6-10-22(28-2)11-7-20)17-19-12-14-25(15-13-19)16-18-4-8-21(24)9-5-18/h4-11,19H,3,12-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
217n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver homogenate after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 24: 1021-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.032
BindingDB Entry DOI: 10.7270/Q2TF0190
More data for this
Ligand-Target Pair