BDBM50396868 CHEMBL2170653

SMILES: COC1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(OC)cc1

InChI Key: InChIKey=QCULMSMCAAHGFC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50396868   

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))	BDBM50396868 (CHEMBL2170653) Show SMILES COC1Cc2c(csc2C2(CCN(Cc3ccccc3)CC2)O1)-c1ccc(OC)cc1 Show InChI InChI=1S/C26H29NO3S/c1-28-21-10-8-20(9-11-21)23-18-31-25-22(23)16-24(29-2)30-26(25)12-14-27(15-13-26)17-19-6-4-3-5-7-19/h3-11,18,24H,12-17H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting				J Med Chem 55: 8047-65 (2012) Article DOI: 10.1021/jm300894h BindingDB Entry DOI: 10.7270/Q2G44RDB
					More data for this Ligand-Target Pair