BDBM50077867 CHEMBL3417076::US9611229, 23

SMILES: Clc1ccc(cc1Cl)-n1cc(NCCCN2CCOCC2)nn1

InChI Key: InChIKey=NYPXMEZDHUIRNQ-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 = 50077867   

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 (Mus musculus (Mouse))	BDBM50077867 (CHEMBL3417076 | US9611229, 23) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCCN2CCOCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5O/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	194	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LABORATORIOS DEL DR. ESTEVE S.A. US Patent					Assay Description Brain membrane preparation and binding assays for the 61-receptor were performed as described (DeHaven-Hudkins, D. L., L. C. Fleissner, and F. Y. For...				US Patent US9611229 (2017) BindingDB Entry DOI: 10.7270/Q2T155QS
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50077867 (CHEMBL3417076 | US9611229, 23) Show SMILES Clc1ccc(cc1Cl)-n1cc(NCCCN2CCOCC2)nn1 Show InChI InChI=1S/C15H19Cl2N5O/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	194	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