ivacaftor [Ligand Id: 4342] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2010601 (Ivacaftor, Kalydeco, VX-770)
  • CFTR/Cystic fibrosis transmembrane conductance regulator in Human [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CFTR/Cystic fibrosis transmembrane conductance regulator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
ChEMBL Potentiation of CFTR G551D mutant (unknown origin) expressed in HEK293 cells incubated for 10 mins in presence of forskolin measured for 2 mins by YFP halide assay B 5.89 pEC50 1300 nM EC50 J Med Chem (2018) 61: 1425-1435 [PMID:29148763]
ChEMBL Corrector activity at human bronchial epithelium CFTR F508del and G551D mutant assessed as increase in channel gating B 6.63 pEC50 236 nM EC50 J Med Chem (2014) 57: 9774-9775 [PMID:25384240]
ChEMBL Potentiation of human CFTR F508del mutant in human bronchial epithelial cells by Ussing chambers recording technique B 6.63 pEC50 236 nM EC50 J Med Chem (2014) 57: 9776-9795 [PMID:25441013]
ChEMBL Potentiation of CFTR G551D mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin B 6.88 pEC50 131 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin B 7.15 pEC50 70 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of CFTR F508 deletion mutant (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskolin and amiloride B 7.17 pEC50 68 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin B 7.31 pEC50 49 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of wild type CFTR (unknown origin) expressed in HBE cells assessed as change in short circuit current in presence of forskolin and amiloride B 7.47 pEC50 34 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of human CFTR F508del/G551D mutant in human bronchial epithelial cells by Ussing chambers recording technique B 7.66 pEC50 22 nM EC50 J Med Chem (2014) 57: 9776-9795 [PMID:25441013]
ChEMBL Potentiator activity at CFTR F508del mutant (unknown origin) expressed in CFBE41o cells assessed as increase in forskolin induced transepithelial short circuit current by Ussing chamber assay B 7.93 pEC50 11.7 nM EC50 Eur J Med Chem (2020) 190: 112116-112116 [PMID:32078860]
ChEMBL Corrector activity at CFTR mutant (unknown origin) by phenotypic screening assay B 8.52 pEC50 3 nM EC50 J Med Chem (2014) 57: 9774-9775 [PMID:25384240]
ChEMBL Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay B 8.52 pEC50 3 nM EC50 J Med Chem (2014) 57: 9776-9795 [PMID:25441013]
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635]
ChEMBL Inhibition of human ERG B 4.7 pIC50 >20000 nM IC50 J Med Chem (2014) 57: 9776-9795 [PMID:25441013]

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]