vestipitant [Ligand Id: 5757] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL522987 (Gw597599, GW-597599, Vestipitant) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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| NK1 receptor/Neurokinin 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103] | ||||||||
| ChEMBL | Binding affinity to human recombinant NK1 receptor expressed in CHO cells assessed as dissociation constant | B | 10.52 | pKd | 0.03 | nM | Kd | J Med Chem (2009) 52: 3238-3247 [PMID:19388677] |
| GtoPdb | - | - | 9.37 | pKi | - | - | - |
Eur Neuropsychopharmacol (2008) 18: 729-50 [PMID:18657401]; J Med Chem (2009) 52: 3238-47 [PMID:19388677] |
| ChEMBL | Displacement of [3H]substance P from human NK1 receptor expressed in CHO cells | B | 9.6 | pKi | 0.25 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 623-627 [PMID:19963378] |
| ChEMBL | Displacement of [3H]substance P from human recombinant NK1 receptor expressed in CHO cells | B | 9.65 | pKi | 0.22 | nM | Ki | J Med Chem (2009) 52: 3238-3247 [PMID:19388677] |
| ChEMBL | Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation counting | B | 9.65 | pKi | 0.22 | nM | Ki | J Med Chem (2011) 54: 1071-1079 [PMID:21229983] |
| ChEMBL | Antagonist activity at NK1 receptor (unknown origin) | B | 9.6 | pIC50 | 0.25 | 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]
