lumacaftor [Ligand Id: 7481] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2103870 (Lumacaftor, VRT 826809, VRT-826809, VX 809, VX-809) |
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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 | Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assay | B | 4.14 | pKd | 72800 | nM | Kd | Eur J Med Chem (2020) 208: 112833-112833 [PMID:32971410] |
| ChEMBL | Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis | B | 4.32 | pKd | 47800 | nM | Kd | Eur J Med Chem (2021) 213: 113186-113186 [PMID:33472120] |
| ChEMBL | Corrector activity at human CFTR F508 deletion mutant expressed in FRT cells incubated for 25 mins with forskolin by YFP-based fluorescence analysis relative to control | B | 5.59 | pEC50 | 2600 | nM | EC50 | J Med Chem (2015) 58: 9697-9711 [PMID:26561003] |
| ChEMBL | Corrector activity at CFTR F508-del mutant (unknown origin) | B | 5.59 | pEC50 | 2600 | nM | EC50 | Eur J Med Chem (2018) 144: 179-200 [PMID:29272749] |
| ChEMBL | Corrector activity at CFTR F508del mutant (unknown origin) | B | 5.59 | pEC50 | 2600 | nM | EC50 | Eur J Med Chem (2019) 180: 430-448 [PMID:31326599] |
| ChEMBL | Corrector activity at CFTR F508-del mutant (unknown origin) expressed in human CFBE41o cells harboring HS-YFP preincubated for 24 hrs followed by forskolin/genistein stimulation for 30 mins by fluorescence assay | B | 5.59 | pEC50 | 2570.4 | nM | EC50 | Eur J Med Chem (2018) 144: 179-200 [PMID:29272749] |
| GtoPdb | EC50 determined by measuring F508del-CFTR (expressed in FRT cells) activity (I– influx; wih co-expression of a fluorescent YFP halide sensor) in the presence of increasing doses of test compound. | - | 5.59 | pEC50 | 2600 | nM | EC50 | J Med Chem (2015) 58: 9697-711 [PMID:26561003] |
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]
