BDBM50532505 CHEMBL4535404

SMILES: Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCC1

InChI Key: InChIKey=HELOVLMYIOSZNF-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 = 50532505   

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)	BDBM50532505 (CHEMBL4535404) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCC1 Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	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)	BDBM50532505 (CHEMBL4535404) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCC1 Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	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))	BDBM50532505 (CHEMBL4535404) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCC1 Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	307	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))	BDBM50532505 (CHEMBL4535404) Show SMILES Cl.CN(CCOc1cc(COc2ccccc2)on1)C1CCC1 Show InChI InChI=1S/C17H22N2O3/c1-19(14-6-5-7-14)10-11-20-17-12-16(22-18-17)13-21-15-8-3-2-4-9-15/h2-4,8-9,12,14H,5-7,10-11,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	307	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