BDBM50206598 CHEMBL225653::methyl (1R,2S/1S,2R)-(4-nitrophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclopropanecarboxylate

SMILES: COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=CSVAQHRLHGGGMI-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 = 50206598   

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))	BDBM50206598 (CHEMBL225653 | methyl (1R,2S/1S,2R)-(4-nitrophenyl...) Show SMILES COC(=O)C1(CC1CN1CCN(CC1)c1ncccn1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H23N5O4/c1-29-18(26)20(15-3-5-17(6-4-15)25(27)28)13-16(20)14-23-9-11-24(12-10-23)19-21-7-2-8-22-19/h2-8,16H,9-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	619	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