BDBM50077871 CHEMBL3417080

SMILES: CCCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=SHXHJOFONTYLEF-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 = 50077871   

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))	BDBM50077871 (CHEMBL3417080) Show SMILES CCCN(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	451	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