BDBM50000262 1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-ylmethyl-piperidine-4-carboxylic acid amide::CHEMBL146140

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

InChI Key: InChIKey=YTCMYWPGDYEQOR-CABCVRRESA-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 = 50000262   

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))	BDBM50000262 (1-[2-(3,4-Dichloro-phenyl)-acetyl]-2-pyrrolidin-1-...) Show SMILES NC(=O)[C@@H]1CCN([C@H](CN2CCCC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H25Cl2N3O2/c20-16-4-3-13(9-17(16)21)10-18(25)24-8-5-14(19(22)26)11-15(24)12-23-6-1-2-7-23/h3-4,9,14-15H,1-2,5-8,10-12H2,(H2,22,26)/t14-,15+/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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description Opioid receptor kappa 1 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