BDBM50016286 CHEMBL3262536

SMILES: COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3cn(CCOCCOCCF)nn3)Cc2cc1OC

InChI Key: InChIKey=ZGQXKCHQZIRZCO-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 = 50016286   

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))	BDBM50016286 (CHEMBL3262536) Show SMILES COc1cc2CCN(CCCCNC(=O)c3ccc(cc3)-c3cn(CCOCCOCCF)nn3)Cc2cc1OC Show InChI InChI=1S/C30H40FN5O5/c1-38-28-19-25-9-13-35(21-26(25)20-29(28)39-2)12-4-3-11-32-30(37)24-7-5-23(6-8-24)27-22-36(34-33-27)14-16-41-18-17-40-15-10-31/h5-8,19-20,22H,3-4,9-18,21H2,1-2H3,(H,32,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+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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