BDBM50045187 1-{4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazin-1-yl}-butan-1-one::CHEMBL292724

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

InChI Key: InChIKey=SSNIDNNYVUIGSX-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 = 50045187   

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))	BDBM50045187 (1-{4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin...) Show SMILES CCCC(=O)N1CCN(C(CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H29Cl2N3O2/c1-2-5-20(27)25-10-11-26(17(15-25)14-24-8-3-4-9-24)21(28)13-16-6-7-18(22)19(23)12-16/h6-7,12,17H,2-5,8-11,13-15H2,1H3	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	60	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