Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sigma intracellular receptor 2' and Ligand = 'BDBM321260'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM321260 (N-[3-(benzylmethylamino)propyl]-4-butylbenzamide |...) Show SMILES CCCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM321260 (N-[3-(benzylmethylamino)propyl]-4-butylbenzamide |...) Show SMILES CCCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C22H30N2O/c1-3-4-9-19-12-14-21(15-13-19)22(25)23-16-8-17-24(2)18-20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-18H2,1-2H3,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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