BDBM50040254 CHEMBL3360022

SMILES: COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C

InChI Key: InChIKey=YOUCZWNHBRIZLW-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 = 50040254   

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))	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	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)	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	295	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)	BDBM50040254 (CHEMBL3360022) Show SMILES COc1cc(CCN2CCN(CCCc3ccccc3)CC2)ccc1OCC=C Show InChI InChI=1S/C25H34N2O2/c1-3-20-29-24-12-11-23(21-25(24)28-2)13-15-27-18-16-26(17-19-27)14-7-10-22-8-5-4-6-9-22/h3-6,8-9,11-12,21H,1,7,10,13-20H2,2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+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