BDBM50040259 CHEMBL3360025

SMILES: COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1

InChI Key: InChIKey=SMCPHPRDLSXAGJ-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 = 50040259   

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))	BDBM50040259 (CHEMBL3360025) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C31H40N2O2/c1-34-31-26-29(16-17-30(31)35-25-9-15-28-12-6-3-7-13-28)18-20-33-23-21-32(22-24-33)19-8-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,26H,8-9,14-15,18-25H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair
SLC6A3 (MOUSE)	BDBM50040259 (CHEMBL3360025) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCCCc1ccccc1 Show InChI InChI=1S/C31H40N2O2/c1-34-31-26-29(16-17-30(31)35-25-9-15-28-12-6-3-7-13-28)18-20-33-23-21-32(22-24-33)19-8-14-27-10-4-2-5-11-27/h2-7,10-13,16-17,26H,8-9,14-15,18-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri Curated by ChEMBL					Assay Description Displacement of [3H]RTI-121 from mouse DAT in striatal membranes				Bioorg Med Chem 23: 222-30 (2014) Article DOI: 10.1016/j.bmc.2014.11.007 BindingDB Entry DOI: 10.7270/Q2KH0PXF
					More data for this Ligand-Target Pair