BDBM50401859 CHEMBL2204677

SMILES: C(CN1CCN(Cc2ccccc2)CC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=YLUBGTJTYPZYJD-UHFFFAOYSA-N

Data: 1 IC50

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 = 50401859   

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 (Homo sapiens (Human))	BDBM50401859 (CHEMBL2204677) Show SMILES C(CN1CCN(Cc2ccccc2)CC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:22:29:32.31.36:34,THB:22:29:32:36.35.34,37:29:32:36.35.34,37:35:32:38.30.29,30:31:34:38.29.37,30:29:32.31.36:34| Show InChI InChI=1S/C37H46N2/c1-3-8-30(9-4-1)28-39-20-18-38(19-21-39)17-7-10-29-13-15-35(16-14-29)36(34-11-5-2-6-12-34)37-25-31-22-32(26-37)24-33(23-31)27-37/h1-6,8-9,11-16,31-33,36H,7,10,17-28H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36.1	n/a	n/a	n/a	n/a	n/a	n/a
National and Kapodistrian University of Athens Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in human Jurkat cell membrane				J Med Chem 55: 10241-61 (2012) Article DOI: 10.1021/jm3013008 BindingDB Entry DOI: 10.7270/Q2736S3Z
					More data for this Ligand-Target Pair