BDBM50000268 1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-ylmethyl-piperidine-4-carboxylic acid methyl ester::CHEMBL359252

SMILES: COC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=RCOCUDLLDUXJHJ-CVEARBPZSA-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 = 50000268   

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))	BDBM50000268 (1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...) Show SMILES COC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H26Cl2N2O3/c1-27-20(26)15-6-9-24(16(12-15)13-23-7-2-3-8-23)19(25)11-14-4-5-17(21)18(22)10-14/h4-5,10,15-16H,2-3,6-9,11-13H2,1H3/t15-,16+/m1/s1	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	250	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