BDBM50045198 4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-dimethylaminomethyl-piperazine-1-carboxylic acid methyl ester::CHEMBL304900

SMILES: COC(=O)N1CCN(C(CN(C)C)C1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=IYHYXKBLRAJUGQ-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 = 50045198   

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))	BDBM50045198 (4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-dimethylamino...) Show SMILES COC(=O)N1CCN(C(CN(C)C)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H23Cl2N3O3/c1-20(2)10-13-11-21(17(24)25-3)6-7-22(13)16(23)9-12-4-5-14(18)15(19)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	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