BDBM50045195 4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid benzyl ester::CHEMBL63367

SMILES: Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)OCc2ccccc2)cc1Cl

InChI Key: InChIKey=MNUXCXWZLFAWDA-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 = 50045195   

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))	BDBM50045195 (4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-...) Show SMILES Clc1ccc(CC(=O)N2CCN(CC2CN2CCCC2)C(=O)OCc2ccccc2)cc1Cl Show InChI InChI=1S/C25H29Cl2N3O3/c26-22-9-8-20(14-23(22)27)15-24(31)30-13-12-29(17-21(30)16-28-10-4-5-11-28)25(32)33-18-19-6-2-1-3-7-19/h1-3,6-9,14,21H,4-5,10-13,15-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	450	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