BDBM50000270 2-(3,4-Dichloro-phenyl)-1-(3-hydroxy-2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone::CHEMBL146632

SMILES: O[C@@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=PMJJKBYEMSFUBW-IAGOWNOFSA-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 = 50000270   

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))	BDBM50000270 (2-(3,4-Dichloro-phenyl)-1-(3-hydroxy-2-pyrrolidin-...) Show SMILES O[C@@H]1CCCN([C@@H]1CN1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N2O2/c19-14-6-5-13(10-15(14)20)11-18(24)22-9-3-4-17(23)16(22)12-21-7-1-2-8-21/h5-6,10,16-17,23H,1-4,7-9,11-12H2/t16-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	590	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