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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma intracellular receptor 2' and Ligand = 'BDBM321280'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM321280
PNG
(N-[3-(benzylmethylamino)propyl]-4-methoxybenzamide...)
Show SMILES COc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-7-4-3-5-8-16)14-6-13-20-19(22)17-9-11-18(23-2)12-10-17/h3-5,7-12H,6,13-15H2,1-2H3,(H,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...

US Patent US10179761 (2019)


BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))		BDBM321280
PNG
(N-[3-(benzylmethylamino)propyl]-4-methoxybenzamide...)
Show SMILES COc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1
Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-7-4-3-5-8-16)14-6-13-20-19(22)17-9-11-18(23-2)12-10-17/h3-5,7-12H,6,13-15H2,1-2H3,(H,20,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.20E+3n/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