netupitant [Ligand Id: 5742] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL206253 (Netupitant, RO-67-3189, RO 67-3189/000, RO-673189000)
  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
NK1 receptor/Neurokinin 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
GtoPdb - - 9.02 pKi 0.95 nM Ki Bioorg Med Chem Lett (2006) 16: 1362-5 [PMID:16332435]
ChEMBL Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells B 9.02 pKi 0.95 nM Ki Bioorg Med Chem Lett (2006) 16: 1362-1365 [PMID:16332435]
ChEMBL Antagonist activity at NK1 receptor (unknown origin) B 9.02 pIC50 0.95 nM IC50 Bioorg Med Chem (2013) 21: 6264-6273 [PMID:24075145]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]