BDBM50040255 CHEMBL3360023

SMILES: COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1

InChI Key: InChIKey=HQFTWCWZDHGHTE-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 = 50040255   

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))	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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)	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	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
SLC6A4 (MOUSE)	BDBM50040255 (CHEMBL3360023) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCc1ccccc1 Show InChI InChI=1S/C29H36N2O2/c1-32-29-23-26(14-15-28(29)33-24-27-11-6-3-7-12-27)16-18-31-21-19-30(20-22-31)17-8-13-25-9-4-2-5-10-25/h2-7,9-12,14-15,23H,8,13,16-22,24H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	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]paroxetine from mouse SERT in whole brain membrane				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