BDBM50532506 CHEMBL4536431

SMILES: Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1

InChI Key: InChIKey=MRSNTCHGJJAGEL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50532506   

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 opioid receptor (RAT)	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma opioid receptor (RAT)	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from rat brain sigma1 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM50532506 (CHEMBL4536431) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1 Show InChI InChI=1S/C18H24N2O3/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Displacement of [3H]DTG from rat brain sigma2 receptor by PDSP assay				J Med Chem 59: 6329-43 (2016) Article DOI: 10.1021/acs.jmedchem.6b00571
					More data for this Ligand-Target Pair