BDBM50077898 CHEMBL3417051

SMILES: Fc1ccc(cc1F)-n1cc(NCCN2CCOCC2)nn1

InChI Key: InChIKey=AGZXMGVIXMWNCO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50077898   

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))	BDBM50077898 (CHEMBL3417051) Show SMILES Fc1ccc(cc1F)-n1cc(NCCN2CCOCC2)nn1 Show InChI InChI=1S/C14H17F2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Esteve Curated by ChEMBL					Assay Description Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting				J Med Chem 58: 2441-51 (2015) Article DOI: 10.1021/jm501920g BindingDB Entry DOI: 10.7270/Q29C704N
					More data for this Ligand-Target Pair