serlopitant [Ligand Id: 9280] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL447955 (MK-0594, Serlopitant, Vpd-737, VPD-737)
  • NK1 receptor/Neurokinin 1 receptor in Human [ChEMBL: CHEMBL249] [GtoPdb: 360] [UniProtKB: P25103]
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  • NK2 receptor/Neurokinin 2 receptor in Human [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
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  • NK3 receptor/Neurokinin 3 receptor in Human [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371]
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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 Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in presence of human serum albumin B 8.02 pIC50 9.5 nM IC50 J Med Chem (2009) 52: 3039-3046 [PMID:19354254]
ChEMBL Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of human serum B 8.02 pIC50 9.5 nM IC50 J Med Chem (2013) 56: 5940-5948 [PMID:23808489]
GtoPdb Inhibition of binding of 125I-Substance P in vitro. - 10.22 pIC50 0.06 nM IC50 J Med Chem (2009) 52: 3039-46 [PMID:19354254]
ChEMBL Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in absence of human serum albumin B 10.22 pIC50 0.06 nM IC50 J Med Chem (2009) 52: 3039-3046 [PMID:19354254]
ChEMBL Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells B 10.22 pIC50 0.06 nM IC50 J Med Chem (2013) 56: 5940-5948 [PMID:23808489]
NK2 receptor/Neurokinin 2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2327] [GtoPdb: 361] [UniProtKB: P21452]
ChEMBL Binding affinity to human NK2 receptor B 8.62 pKi 2.4 nM Ki J Med Chem (2009) 52: 3039-3046 [PMID:19354254]
ChEMBL Binding affinity to human NK2 receptor B 5.62 pIC50 2400 nM IC50 J Med Chem (2013) 56: 5940-5948 [PMID:23808489]
NK3 receptor/Neurokinin 3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4429] [GtoPdb: 362] [UniProtKB: P29371]
ChEMBL Binding affinity to human NK3 receptor B 8.62 pKi 2.4 nM Ki J Med Chem (2009) 52: 3039-3046 [PMID:19354254]
ChEMBL Binding affinity to human NK3 receptor B 5.62 pIC50 2400 nM IC50 J Med Chem (2013) 56: 5940-5948 [PMID:23808489]

ChEMBL data shown on this page come from version 32:

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]