KinMap: Built-in Data Sources

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Version History

Source	Current version	Planned update	Link
CTTV disease associations	Apr. 2016 (Release 1.1)	With the next CTTV Release
Karaman data set	Jan. 2008	n.a.
Davis data set	Oct. 2011	n.a.
ChEMBL data	Mar. 2016 (Release 21)	With the next ChEMBL Release
Drug Bank	Dec. 2015	Dec. 2016
PDB structures	Dec. 2015	Dec. 2016

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Disease Assocation CTTV

• Kinase-disease association data were extracted from the Target Validation platform CTTV (Release 1.1)
• Entries with low association scores (<0.1) were excluded
• Only disease associations linked to one or more of the following evidence types were kept: genetic, somatic mutations, drugs, affected pathways or RNA expression
• Therapeutic area
  16 therapeutic areas are included, e.g. neoplasm, respiratory system disease, nervous system disease
• Disease
  670+ diseases are included, e.g. breast carcinoma, lung carcinoma, multiple myeloma, ulcerative colitis
• Mapping: via Ensembl Gene ID

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Bioactivity

• Karaman et al., 2008
  Inhibition profiles of 38 kinase inhibitors across a panel of 317 kinases
• Davis et al., 2011
  Inhibition profiles of 72 kinase inhibitors across a panel of 442 kinases
• Binding constants (K_d's) were extracted from the kinase profiling panels and null values were excluded
• Only the binding constants corresponding to the wild-type kinase in the phosphorylated state were kept
• Mapping: via Gene names listed in the Supplementary Materials

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ChEMBL

• Counts of compounds and assays curated in ChEMBL (Release 21)
• Number of compounds in ChEMBL
  Number of unique compounds tested regardless of measurement type or activity
• Number of assays in ChEMBL
  Total number of assays associated with a particular kinase (as a single protein target)
• Key target of approved drugs
  Kinases annotated as primary targets of (one or more) clinically approved drug(s)
• Mapping: via ChEMBL Target ID

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Drug Bank

• Key target of approved drugs
  Human protein kinases annotated in the DrugBank as targets of clinically approved kinase inhibitor(s)
• Mapping: via manual curation

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PDB

• Count of PDB entries associated with a particular kinase
• PDB entries are counted only when they contain the kinase-domain of the corresponding human protein kinase, i.e. the PDB entry 1AB2 which contains the Src Homology-2 domain ABL1 is not included in the count
• Mapping: via Uniprot ID

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Note about the additional columns

• When annotations from the built-in data sources are added to the kinome tree, four columns will be appended to the annotations table, accessible via the Edit/Import from Excel button
• The new columns are used by KinMap to track the added data source, and should not be edited by the user