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Cell Chem Biol. 2018 Feb 15;25(2):194-205.e5. doi: 10.1016/j.chembiol.2017.11.004. Epub 2017 Dec 14.

Objective, Quantitative, Data-Driven Assessment of Chemical Probes.

Author information

1
Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK; Department of Data Science, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK.
2
Department of Data Science, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK.
3
Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK.
4
Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK. Electronic address: paul.workman@icr.ac.uk.
5
Cancer Research UK Cancer Therapeutics Unit, Division of Cancer Therapeutics, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK; Department of Data Science, The Institute of Cancer Research, 15 Cotswold Road, London SM2 5NG, UK. Electronic address: bissan.al-lazikani@icr.ac.uk.

Abstract

Chemical probes are essential tools for understanding biological systems and for target validation, yet selecting probes for biomedical research is rarely based on objective assessment of all potential compounds. Here, we describe the Probe Miner: Chemical Probes Objective Assessment resource, capitalizing on the plethora of public medicinal chemistry data to empower quantitative, objective, data-driven evaluation of chemical probes. We assess >1.8 million compounds for their suitability as chemical tools against 2,220 human targets and dissect the biases and limitations encountered. Probe Miner represents a valuable resource to aid the identification of potential chemical probes, particularly when used alongside expert curation.

KEYWORDS:

chemical probes; chemical tools; large-scale; objective quantitative assessment; online public resource; target validation

PMID:
29249694
PMCID:
PMC5814752
DOI:
10.1016/j.chembiol.2017.11.004
[Indexed for MEDLINE]
Free PMC Article

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