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SMILES: CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FXNYGXLDWBGWOW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466977   
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)		BDBM50466977
PNG
(CHEMBL4287975)
Show SMILES CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H33ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h7-10,19,21H,2-6,11-17H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 95n/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))		BDBM50466977
PNG
(CHEMBL4287975)
Show SMILES CC(=O)N(CC1CCCCC1)CC1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H33ClN2O/c1-18(26)25(16-19-5-3-2-4-6-19)17-21-11-13-24(14-12-21)15-20-7-9-22(23)10-8-20/h7-10,19,21H,2-6,11-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.43E+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