BDBM50010753 CHEMBL553074::N-(3,5-Dimethyl-adamantan-1-yl)-N'-(2-iodo-phenyl)-guanidine; hydrochloride

SMILES: CC12CC3CC(C)(C1)CC(C3)(C2)NC(N)=Nc1ccccc1I

InChI Key: InChIKey=OGAVVWZTKYWFNT-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 = 50010753   

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))	BDBM50010753 (CHEMBL553074 | N-(3,5-Dimethyl-adamantan-1-yl)-N'-...) Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)NC(N)=Nc1ccccc1I |w:15.18,TLB:0:1:8:3.10.4,4:5:11:3.10.2,4:3:11:5.8.7,THB:6:5:11:3.10.2,2:1:8:3.10.4,2:3:8:1.11.7| Show InChI InChI=1S/C19H26IN3/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Oregon Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				J Med Chem 33: 2421-9 (1990) BindingDB Entry DOI: 10.7270/Q25Q4WQ3
					More data for this Ligand-Target Pair