BDBM321279 N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide::US10179761, Compound 3.1.28

SMILES: COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1

InChI Key: InChIKey=BUZMANQQSWHHCG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 321279   

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))	BDBM321279 (N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide...) Show SMILES COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40	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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM321279 (N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide...) Show SMILES COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	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 intracellular receptor 2 (Homo sapiens (Human))	BDBM321279 (N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide...) Show SMILES COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.20E+3	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))	BDBM321279 (N-[3-(benzylmethylamino)propyl]-3-methoxybenzamide...) Show SMILES COc1cccc(c1)C(=O)NCCCN(C)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O2/c1-21(15-16-8-4-3-5-9-16)13-7-12-20-19(22)17-10-6-11-18(14-17)23-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>1.20E+3	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