BDBM50000281 2-(3,4-Dichloro-phenyl)-1-(2-methyl-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone::CHEMBL147437

SMILES: CC1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=HQWIOXIOBQOQJB-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 = 50000281   

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))	BDBM50000281 (2-(3,4-Dichloro-phenyl)-1-(2-methyl-2-pyrrolidin-1...) Show SMILES CC1(CN2CCCC2)CCCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H26Cl2N2O/c1-19(14-22-9-4-5-10-22)8-2-3-11-23(19)18(24)13-15-6-7-16(20)17(21)12-15/h6-7,12H,2-5,8-11,13-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 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