macitentan [Ligand Id: 7352] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2103873 (ACT 064992, ACT-064992, Macitentan, Opsumit)
  • ETA receptor/Endothelin receptor ET-A in Human [ChEMBL: CHEMBL252] [GtoPdb: 219] [UniProtKB: P25101]
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  • ETB receptor/Endothelin receptor ET-B in Human [ChEMBL: CHEMBL1785] [GtoPdb: 220] [UniProtKB: P24530]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ETA receptor/Endothelin receptor ET-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL252] [GtoPdb: 219] [UniProtKB: P25101]
ChEMBL Antagonist activity at human ETA receptor expressed in CHO cells in presence of ET1 B 8.47 pIC50 3.4 nM IC50 Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813]
GtoPdb - - 9.3 pIC50 0.5 nM IC50 J Med Chem (2012) 55: 7849-61 [PMID:22862294]
ChEMBL Displacement of [I125]ET1 from recombinant ETA receptor expressed in CHO cells after 2 hrs by TopCount analysis B 9.3 pIC50 0.5 nM IC50 J Med Chem (2012) 55: 7849-7861 [PMID:22862294]
ChEMBL Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membranes after 2 hrs by scintillation counting B 9.3 pIC50 0.5 nM IC50 Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813]
ETB receptor/Endothelin receptor ET-B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1785] [GtoPdb: 220] [UniProtKB: P24530]
ChEMBL Antagonist activity at human ETB receptor expressed in CHO cells in presence of ET1 B 6.01 pIC50 987 nM IC50 Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813]
ChEMBL Displacement of [I125]ET1 from recombinant ETB receptor expressed in CHO cells after 2 hrs by TopCount analysis B 6.41 pIC50 391 nM IC50 J Med Chem (2012) 55: 7849-7861 [PMID:22862294]
ChEMBL Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membranes after 2 hrs by scintillation counting B 6.41 pIC50 391 nM IC50 Bioorg Med Chem Lett (2016) 26: 3381-3394 [PMID:27321813]
GtoPdb - - 6.41 pIC50 391 nM IC50 J Med Chem (2012) 55: 7849-61 [PMID:22862294]

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]