alectinib [Ligand Id: 7739] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1738797 (CH-5424802, Alectinib, AF-802, RO-5424802, Alecensa, RO5424802)
  • ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
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  • MET proto-oncogene, receptor tyrosine kinase/Hepatocyte growth factor receptor in Human [ChEMBL: CHEMBL3717] [GtoPdb: 1815] [UniProtKB: P08581]
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  • c-ros oncogene 1, receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase ROS in Human [ChEMBL: CHEMBL5568] [GtoPdb: 1840] [UniProtKB: P08922]
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  • KIT proto-oncogene, receptor tyrosine kinase/Stem cell growth factor receptor in Human [ChEMBL: CHEMBL1936] [GtoPdb: 1805] [UniProtKB: P10721]
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  • ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73]
ChEMBL Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay B 7.72 pIC50 19 nM IC50 Eur. J. Med. Chem. (2016) 118: 244-249 [PMID:27131066]
ChEMBL Inhibition of gatekeeper ALK L1196M mutant (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA B 7.82 pIC50 15.2 nM IC50 Eur. J. Med. Chem. (2015) 105: 39-56 [PMID:26476749]
ChEMBL Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA B 7.94 pIC50 11.5 nM IC50 Eur. J. Med. Chem. (2015) 105: 39-56 [PMID:26476749]
ChEMBL Inhibition Assay: ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the detection of phosphorylation of the biotinylated peptide, time-resolved fluorescence measurement was performed using an anti-phosphorylated tyrosine antibody labeled with europium cryptate and streptavidin conjugated to XL665, i.e., an allophycocyanin derivative. B 8.28 pIC50 5.3 nM IC50 US-9126931-B2. Tetracyclic compound (2015)
GtoPdb - - 8.72 pIC50 1.9 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-80 [PMID:22225917]
ChEMBL Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP B 8.72 pIC50 1.9 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-1280 [PMID:22225917]
MET proto-oncogene, receptor tyrosine kinase/Hepatocyte growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3717] [GtoPdb: 1815] [UniProtKB: P08581]
GtoPdb - - 5.3 pIC50 >5000 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-80 [PMID:22225917]
ChEMBL Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP B 5.3 pIC50 >5000 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-1280 [PMID:22225917]
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG B 4.52 pIC50 >30000 nM IC50 Bioorg Med Chem Lett (2016) 26: 5399-5402 [PMID:27769623]
c-ros oncogene 1, receptor tyrosine kinase/Proto-oncogene tyrosine-protein kinase ROS in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5568] [GtoPdb: 1840] [UniProtKB: P08922]
ChEMBL Inhibition of ROS1 G2032R mutant (unknown origin) B 5.52 pKi >3000 nM Ki Eur J Med Chem (2017) 134: 348-356 [PMID:28431340]
ChEMBL Inhibition of wild type ROS1 (unknown origin) B 5.62 pKi 2400 nM Ki Eur J Med Chem (2017) 134: 348-356 [PMID:28431340]
ChEMBL Inhibition of ROS1 L2026M mutant (unknown origin) B 5.7 pKi 2000 nM Ki Eur J Med Chem (2017) 134: 348-356 [PMID:28431340]
KIT proto-oncogene, receptor tyrosine kinase/Stem cell growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1936] [GtoPdb: 1805] [UniProtKB: P10721]
ChEMBL Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP B 5.3 pIC50 >5000 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-1280 [PMID:22225917]
ret proto-oncogene/Tyrosine-protein kinase receptor RET in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2041] [GtoPdb: 2185] [UniProtKB: P07949]
ChEMBL Inhibition of recombinant human RET V804M mutant using Biotin-EGPWLEEEEEAYGWMDF as substrate incubated for 60 mins by TR-FRET assay B 7.4 pIC50 39.8 nM IC50 Eur. J. Med. Chem. (2016) 118: 244-249 [PMID:27131066]
ChEMBL Inhibition of wild type recombinant human RET using Biotin-EGPWLEEEEEAYGWMDF as substrate incubated for 60 mins by TR-FRET assay B 8.32 pIC50 4.8 nM IC50 Eur. J. Med. Chem. (2016) 118: 244-249 [PMID:27131066]
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP B 5.85 pIC50 1400 nM IC50 Bioorg. Med. Chem. (2012) 20: 1271-1280 [PMID:22225917]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]