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BDBM50276861 CHEMBL4173950

SMILES: CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1

InChI Key: InChIKey=ULOSXXAKRNHHEW-UHFFFAOYSA-N

Data: 2 KI

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 = 50276861   
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


(Homo sapiens (Human))
BDBM50276861
PNG
(CHEMBL4173950)
Show SMILES CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.5n/an/an/an/an/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 138: 964-978 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50276861
PNG
(CHEMBL4173950)
Show SMILES CN(CCCC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1
Show InChI InChI=1S/C18H21ClN2O/c1-21(14-15-6-3-2-4-7-15)13-5-8-18(22)20-17-11-9-16(19)10-12-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
170n/an/an/an/an/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in human Jurkat cell membranes after 1 hr in presence of (+)-pentazocine by liquid scintillation counting


Eur J Med Chem 138: 964-978 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7
More data for this
Ligand-Target Pair