BDBM50540774 CHEMBL4634076

SMILES: [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=LRYVJKWRDDRFKF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50540774   

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 intracellular receptor 2 (Homo sapiens (Human))	BDBM50540774 (CHEMBL4634076) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-9-23(10-12-24)20-32-28(30)31)26-15-5-2-6-16-27-17-13-22(14-18-27)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020)
					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50540774 (CHEMBL4634076) Show SMILES [O-][N+](=O)OCc1ccc(cc1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-9-23(10-12-24)20-32-28(30)31)26-15-5-2-6-16-27-17-13-22(14-18-27)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020)
					More data for this Ligand-Target Pair