BDBM50016274 CHEMBL3262525

SMILES: COc1cc2CCN(CCCCNC(=O)c3cn(Cc4cccc(O)c4)nn3)Cc2cc1OC

InChI Key: InChIKey=FBPKWIUKCRZINR-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 = 50016274   

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))	BDBM50016274 (CHEMBL3262525) Show SMILES COc1cc2CCN(CCCCNC(=O)c3cn(Cc4cccc(O)c4)nn3)Cc2cc1OC Show InChI InChI=1S/C25H31N5O4/c1-33-23-13-19-8-11-29(16-20(19)14-24(23)34-2)10-4-3-9-26-25(32)22-17-30(28-27-22)15-18-6-5-7-21(31)12-18/h5-7,12-14,17,31H,3-4,8-11,15-16H2,1-2H3,(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.08E+3	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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