BDBM50540770 CHEMBL4632866

SMILES: [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1

InChI Key: InChIKey=WOOONBUVOBZFPJ-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 = 50540770   

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-1 receptor (Cavia porcellus (Guinea pig))	BDBM50540770 (CHEMBL4632866) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-7-10-23(19-24)20-32-28(30)31)26-14-5-2-6-15-27-16-12-22(13-17-27)18-21-8-3-1-4-9-21/h1,3-4,7-11,19,22H,2,5-6,12-18,20H2,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	50	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
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540770 (CHEMBL4632866) Show SMILES [O-][N+](=O)OCc1cccc(c1)C(=O)NCCCCCN1CCC(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c29-25(24-11-7-10-23(19-24)20-32-28(30)31)26-14-5-2-6-15-27-16-12-22(13-17-27)18-21-8-3-1-4-9-21/h1,3-4,7-11,19,22H,2,5-6,12-18,20H2,(H,26,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	142	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