BDBM50045182 1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone::CHEMBL62879

SMILES: CC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=IMYIXKWHJNYXNZ-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 = 50045182   

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))	BDBM50045182 (1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl...) Show SMILES CC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O2/c1-14(25)23-8-9-24(16(13-23)12-22-6-2-3-7-22)19(26)11-15-4-5-17(20)18(21)10-15/h4-5,10,16H,2-3,6-9,11-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro agonist activity at kappa opioid receptor in rabbit vas deferens.				J Med Chem 36: 2075-83 (1993) BindingDB Entry DOI: 10.7270/Q2D50NKJ
					More data for this Ligand-Target Pair