BDBM50068436 1,4-Bis-[2-(3-methoxy-phenyl)-ethyl]-piperazine::CHEMBL146546

SMILES: COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1

InChI Key: InChIKey=VDRHJXBQYDEUAX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50068436   

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 (Homo sapiens (Human))	BDBM50068436 (1,4-Bis-[2-(3-methoxy-phenyl)-ethyl]-piperazine | ...) Show SMILES COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1 Show InChI InChI=1S/C22H30N2O2/c1-25-21-7-3-5-19(17-21)9-11-23-13-15-24(16-14-23)12-10-20-6-4-8-22(18-20)26-2/h3-8,17-18H,9-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity was tested against sigma-1 receptor in guinea brain membranes.				J Med Chem 41: 4950-7 (1999) Article DOI: 10.1021/jm980143k BindingDB Entry DOI: 10.7270/Q2NG4PR0
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50068436 (1,4-Bis-[2-(3-methoxy-phenyl)-ethyl]-piperazine | ...) Show SMILES COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1 Show InChI InChI=1S/C22H30N2O2/c1-25-21-7-3-5-19(17-21)9-11-23-13-15-24(16-14-23)12-10-20-6-4-8-22(18-20)26-2/h3-8,17-18H,9-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis				Bioorg Med Chem Lett 26: 4441-4445 (2016) Article DOI: 10.1016/j.bmcl.2016.08.001
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50068436 (1,4-Bis-[2-(3-methoxy-phenyl)-ethyl]-piperazine | ...) Show SMILES COc1cccc(CCN2CCN(CCc3cccc(OC)c3)CC2)c1 Show InChI InChI=1S/C22H30N2O2/c1-25-21-7-3-5-19(17-21)9-11-23-13-15-24(16-14-23)12-10-20-6-4-8-22(18-20)26-2/h3-8,17-18H,9-16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of [3H]DTBZ binding to VMAT2 in rat whole brain homogenate (excluding cerebellum) after 30 mins by liquid scintillation spectrometric anal...				Bioorg Med Chem Lett 26: 4441-4445 (2016) Article DOI: 10.1016/j.bmcl.2016.08.001
					More data for this Ligand-Target Pair