BDBM50016268 CHEMBL3262519

SMILES: COc1ccc(cc1)-n1cc(nn1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1

InChI Key: InChIKey=GEMRIKUEKVAHNS-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 = 50016268   

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 (Cavia porcellus (Guinea pig))	BDBM50016268 (CHEMBL3262519) Show SMILES COc1ccc(cc1)-n1cc(nn1)C(=O)NCCCCN1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C25H31N5O4/c1-32-21-8-6-20(7-9-21)30-17-22(27-28-30)25(31)26-11-4-5-12-29-13-10-18-14-23(33-2)24(34-3)15-19(18)16-29/h6-9,14-15,17H,4-5,10-13,16H2,1-3H3,(H,26,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.92E+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 Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...				J Med Chem 57: 4239-51 (2014) Article DOI: 10.1021/jm5001453 BindingDB Entry DOI: 10.7270/Q20P11KX
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