I am trying to find information on the approximate number of known kinase inhibitors of both synthetic and natural origin, but so far I wasn't able to find comprehensive literature on that topic, only the abundance of articles specializing on certain aspects or inhibitors.
Kinase Inhibitor Database at Int. Centre for Kinase Profiling gives just 230 compounds, Kinexus lists 276, Life Chemicals in Kinse Targeted Screening DB lists ~ 2250 kinase inhibitors (and 15757 in Kinase by Docking library), but I'm not sure about real-life activities.
If you need to find a kinase inhibitor for a specific kinase target you may also try Synkinase's webpage: http://synkinase.com/products/kinase-inhibitors/by-target/m-r.html
BTW: Testing of kinase inhibitors' potency/ selectivity can be performed using commercial service providers such as ProQinase: http://www.proqinase.com/content/view/27
The answer depends on the definition of an inhibitor (potency, selectivity). If speaking about nanomolar inhibitors, we can count tens-hundreds for a given kinase. If micromolar potency is OK, then the number increases substantially.
If you think of a nanomolar inhibitor of certain kinase, you should not forget about dozens (hundreds?) of highly related compounds with lower potency or worse selectivity, prepared during optimization and for SAR analysis and appearing often only in the original papers. These are usually forgotten by the community.
I could hardly imagine a database or paper counting them all. Try to check bindingdb for number of entries.
Hello Jens, perhaps you are just interested in the kinase inhibitors currently approved. If so please look at the attached PDF. I have enclosed all the molecules approved until now with generic and commercial name, year of approval etc. Hope it helps. Kind regards
Many thanks for all the answers to far.
@Fabio: Very nice overview, highly appreciated.
@Helena: Actually I am trying to figure out how many (at least approximately) compounds have been identified to date showing inhibitory activity towards kinases, regardless of potency/selectivity. That being said, using the advanced search option in bindingdb (Target name_contains_KINASE) yields a result of 51148 compounds. I have not yet verified if the shown compounds are all unique, but I guess that answers my question. Many thanks.
Hi Jens,
you could also have a look at Kinase Sarfari, a kinase dataset maintained at the EBI.
It contains more than 532k activity points related to 54189 compounds. I am not sure how much overlaps with the BindingDB set.
Kinase Sarfari set is free. If you can invest some money into this it might be of interest looking also at the GOSTAR database were you can find also info from patents.
Hope it helps
Regards
https://www.ebi.ac.uk/chembl/sarfari/kinasesarfari
https://gostardb.com/gostar/
Thanks again, I already knew about the ChEMBLdb and Kinase SARfari. The problem with ChEMBLdb until now was that there were at times multiple entries for the same compounds, resulting in wrong estimates. As they are frequently updating the website the summarizing information provided in the Kinase SARfari section must be fairly new (maybe they included the number of compounds because I contacted them asking the same question at the beginning of the year?). Anyway, both estimates from Kinase SARfari (54189) and BindingDB (51148) are close enough, although, as you point out correctly, there is no way to check for overlap between the two as you cannot yet extract the full list of compounds from Kinase SARfari for comparison (as far as I can tell). Might be possible in the future though, as they are still improving services (compound analysis section currently under development).
Dear Jens,
For downloading the KinaseSarfari set have a look at
https://www.ebi.ac.uk/chembl/sarfari/kinasesarfari/downloads
Regards
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