BDBM50040256 CHEMBL3352893

SMILES: C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1

InChI Key: InChIKey=WFAROYFSCXHRLW-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 = 50040256   

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))	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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
SLC6A4 (MOUSE)	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	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
SLC6A3 (MOUSE)	BDBM50040256 (CHEMBL3352893) Show SMILES C(CN1CCN(CCc2ccc3OCOc3c2)CC1)Cc1ccccc1 Show InChI InChI=1S/C22H28N2O2/c1-2-5-19(6-3-1)7-4-11-23-13-15-24(16-14-23)12-10-20-8-9-21-22(17-20)26-18-25-21/h1-3,5-6,8-9,17H,4,7,10-16,18H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.84E+3	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