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SMILES: CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1

InChI Key: InChIKey=FZTAXYPIZMGGRY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 321259   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM321259 (N-[3-(benzylmethylamino)propyl]-4-propylbenzamide ...) Show SMILES CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.70	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](+)-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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM321259 (N-[3-(benzylmethylamino)propyl]-4-propylbenzamide ...) Show SMILES CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	3.70	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
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM321259 (N-[3-(benzylmethylamino)propyl]-4-propylbenzamide ...) Show SMILES CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	160	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))	BDBM321259 (N-[3-(benzylmethylamino)propyl]-4-propylbenzamide ...) Show SMILES CCCc1ccc(cc1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O/c1-3-8-18-11-13-20(14-12-18)21(24)22-15-7-16-23(2)17-19-9-5-4-6-10-19/h4-6,9-14H,3,7-8,15-17H2,1-2H3,(H,22,24)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	160	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