BDBM50290861 5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-piperidin-1-ylmethyl}-2,4-dihydro-[1,2,4]triazol-3-one::CHEMBL100636
SMILES: C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(Cl)cc(Cl)c1
InChI Key: InChIKey=IBZJAXSAZUPUBI-RFVSGWPVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neurokinin 1 receptor (Rattus norvegicus (rat)) | BDBM50290861 (5-{3-[1-(3,5-Dichloro-phenyl)-ethoxy]-2-phenyl-pip...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Antagonism of NK1 receptor in rat liver microsomes. | Bioorg Med Chem Lett 7: 2959-2962 (1997) Article DOI: 10.1016/S0960-894X(97)10118-4 BindingDB Entry DOI: 10.7270/Q2W66KRX | |||||||||||
More data for this Ligand-Target Pair |