BDBM50359587 CHEMBL1927694

SMILES: COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC

InChI Key: InChIKey=XFAYVRCYAYPGHT-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 = 50359587   

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 (RAT)	BDBM50359587 (CHEMBL1927694) Show SMILES COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC Show InChI InChI=1S/C23H29N3O6/c1-30-20-9-8-19(21(31-2)22(20)32-3)23(27)24-11-4-5-12-25-13-10-16-6-7-18(26(28)29)14-17(16)15-25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin School of Medicine and Public Health Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from sigma 1 receptor in rat liver membrane after 1.5 hrs by scintillation counting				Bioorg Med Chem 19: 7435-40 (2011) Article DOI: 10.1016/j.bmc.2011.10.046 BindingDB Entry DOI: 10.7270/Q22F7NWW
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50359587 (CHEMBL1927694) Show SMILES COc1ccc(C(=O)NCCCCN2CCc3ccc(cc3C2)[N+]([O-])=O)c(OC)c1OC Show InChI InChI=1S/C23H29N3O6/c1-30-20-9-8-19(21(31-2)22(20)32-3)23(27)24-11-4-5-12-25-13-10-16-6-7-18(26(28)29)14-17(16)15-25/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to sigma-1 opioid receptor (unknown origin)				J Med Chem 56: 7137-60 (2013) Article DOI: 10.1021/jm301545c BindingDB Entry DOI: 10.7270/Q22R3T54
					More data for this Ligand-Target Pair