BDBM50243667 CHEMBL4089029

SMILES: [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F

InChI Key: InChIKey=FDZFGVHVQIGLKU-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 = 50243667   

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))	BDBM50243667 (CHEMBL4089029) Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	22	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]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50243667 (CHEMBL4089029) Show SMILES [O-][N+](=O)c1ccc(NCCCN2CCC(Cc3ccccc3)CC2)cc1C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c23-22(24,25)20-16-19(7-8-21(20)28(29)30)26-11-4-12-27-13-9-18(10-14-27)15-17-5-2-1-3-6-17/h1-3,5-8,16,18,26H,4,9-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	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 sigma 1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method				J Med Chem 60: 9531-9544 (2017) Article DOI: 10.1021/acs.jmedchem.7b00791 BindingDB Entry DOI: 10.7270/Q2NS0X9N
					More data for this Ligand-Target Pair