BDBM50206595 CHEMBL386002::methyl (1R,2S/1S,2R)-1-(4-methylphenyl)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopropanecarboxylate

SMILES: COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(C)cc1

InChI Key: InChIKey=SWGWTBOZTKJVHF-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 = 50206595   

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))	BDBM50206595 (CHEMBL386002 | methyl (1R,2S/1S,2R)-1-(4-methylphe...) Show SMILES COC(=O)C1(CC1CN1CCN(CC1)c1ccccn1)c1ccc(C)cc1 Show InChI InChI=1S/C22H27N3O2/c1-17-6-8-18(9-7-17)22(21(26)27-2)15-19(22)16-24-11-13-25(14-12-24)20-5-3-4-10-23-20/h3-10,19H,11-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	497	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H](+)pentazocine from guinea pig brain sigma 1 receptor				J Med Chem 50: 951-61 (2007) Article DOI: 10.1021/jm0611197 BindingDB Entry DOI: 10.7270/Q2GH9HN8
					More data for this Ligand-Target Pair