BDBM50000280 2-(3,4-Dichloro-phenyl)-1-[2-(4-methylene-piperidin-1-ylmethyl)-piperidin-1-yl]-ethanone::CHEMBL148117

SMILES: Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)CC2)cc1Cl

InChI Key: InChIKey=XOTAHPXSQYXPAO-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 = 50000280   

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))	BDBM50000280 (2-(3,4-Dichloro-phenyl)-1-[2-(4-methylene-piperidi...) Show SMILES Clc1ccc(CC(=O)N2CCCCC2CN2CCC(=C)CC2)cc1Cl Show InChI InChI=1S/C20H26Cl2N2O/c1-15-7-10-23(11-8-15)14-17-4-2-3-9-24(17)20(25)13-16-5-6-18(21)19(22)12-16/h5-6,12,17H,1-4,7-11,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	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 of the compound 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