BDBM50000282 2-(3,4-Dichloro-phenyl)-1-(2-isoxazolidin-2-ylmethyl-piperidin-1-yl)-ethanone::CHEMBL146413

SMILES: Clc1ccc(CC(=O)N2CCCCC2CN2CCCO2)cc1Cl

InChI Key: InChIKey=MCSBDSOJYAQJFT-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 = 50000282   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000282 (2-(3,4-Dichloro-phenyl)-1-(2-isoxazolidin-2-ylmeth...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCCO2)cc1Cl Show InChI InChI=1S/C17H22Cl2N2O2/c18-15-6-5-13(10-16(15)19)11-17(22)21-8-2-1-4-14(21)12-20-7-3-9-23-20/h5-6,10,14H,1-4,7-9,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 agonist potency was determined in vitro using rabbit vas deferens (LVD) preparation				J Med Chem 35: 490-501 (1992) BindingDB Entry DOI: 10.7270/Q2TQ60GV
					More data for this Ligand-Target Pair