lanepitant [Ligand Id: 3510] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL42407 (Lanepitant)
  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
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  • NK3 receptor/Neurokinin 3 receptor in Rat [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
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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]
ChEMBL Inhibition of substance P induced contraction of rabbit vena ceva (RVC) tissue expressing Tachykinin receptor 1 F 9.4 pKd 0.4 nM Kd J Med Chem (1996) 39: 736-748 [PMID:8576917]
GtoPdb - - 10 pKi 0.1 nM Ki J Pharmacol Exp Ther (1995) 275: 737-44 [PMID:7473161]
ChEMBL In vitro inhibition of binding of [125I]Bolton-Hunter SP to Tachykinin receptor 1 in human IM-9 cell line B 9.64 pIC50 0.23 nM IC50 Bioorg Med Chem Lett (2001) 11: 1643-1646 [PMID:11425527]
GtoPdb - - 9.82 pIC50 0.15 nM IC50 Expert Opin Ther Pat (2010) 20: 1019-45 [PMID:20533894]
ChEMBL Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125I]-labeled Boltan-Hunter substance P as radioligand B 9.82 pIC50 0.15 nM IC50 J Med Chem (1996) 39: 736-748 [PMID:8576917]
Neurokinin 2 receptor in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3433] [UniProtKB: P79218]
ChEMBL Inhibition of neurokinin A induced contraction of rabbit pulmonary artery (RPA) tissue expressing Tachykinin receptor 2 F 4.7 pKd 19952.62 nM Kd J Med Chem (1996) 39: 736-748 [PMID:8576917]
NK3 receptor/Neurokinin 3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3154] [GtoPdb: 362] [UniProtKB: P16177]
ChEMBL Inhibition of neurokinin B induced contraction of rat portal vein (RPV) tissue expressing Tachykinin receptor 3 F 4.7 pKd 19952.62 nM Kd J Med Chem (1996) 39: 736-748 [PMID:8576917]

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]