voxelotor [Ligand Id: 10559] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4101807 (Gbt440, GBT-440, GBT440, GTX-011, Oxbryta, Voxelotor)
  • CYP2C8 in Human [GtoPdb: 1325] [UniProtKB: P10632]
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  • CYP2C9 in Human [GtoPdb: 1326] [UniProtKB: P11712]
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  • CYP3A4 in Human [GtoPdb: 1337] [UniProtKB: P08684]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP2C8 in Human [GtoPdb: 1325] [UniProtKB: P10632]
GtoPdb Measuring inhibition of CYP2C8 activity using paclitaxel as substrate. - 5.1 pIC50 7900 nM IC50 ACS Med Chem Lett (2017) 8: 321-326 [PMID:28337324]
CYP2C9 in Human [GtoPdb: 1326] [UniProtKB: P11712]
GtoPdb Measuring inhibition of CYP2C9 activity using tolbutamide as substrate. - 5.07 pIC50 8500 nM IC50 ACS Med Chem Lett (2017) 8: 321-326 [PMID:28337324]
CYP3A4 in Human [GtoPdb: 1337] [UniProtKB: P08684]
GtoPdb Measuring inhibition of CYP3A4 activity using testosterone as substrate. - 4.9 pIC50 12500 nM IC50 ACS Med Chem Lett (2017) 8: 321-326 [PMID:28337324]

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]