BDBM50045192 4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-piperazine-1-carboxylic acid methyl ester::CHEMBL62474
SMILES: COC(=O)N1CCN(C(CN2CCC=CC2)C1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChI Key: InChIKey=NKZSMSGDVPNCJH-UHFFFAOYSA-N
Data: 1 IC50
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)) | BDBM50045192 (4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3,6-dihydro-...) | PDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.0400 | 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 |