opnMe.com: a digital initiative for sharing tools with the biomedical research community

Gollner, Andreas; Köster, Markus; Nicklin, Paul; Trieselmann, Thomas; Klein, Elliott S.; Vlach, Jaromir; Heine, Claudia; Grundl, Marc A.; Ramharter, Juergen; Wyatt, David; Chaturvedi, Menorca; Ciulli, A.; Carter, Katharine C.; Müller, Susanne; Bischoff, Daniel; Ettmayer, Peter; Haaksma, Eric E. J.; Mack, Jürgen; McConnell, Darryl B.; Stenkamp, D.; Weinstabl, Harald; Zentgraf, Matthias; Wood, Clive R.; Montel, Florian

doi:10.1038/d41573-022-00071-9

Cited by 16 publications

(17 citation statements)

References 5 publications

(5 reference statements)

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“…The public availability of well-characterized chemical probe molecules can help to elucidate pharmacology and mode of action of a target of interest. In recent years, the “Structural Genomics Consortium” (SGC) and its partners have made a concerted effort to define clear criteria for high-quality chemical probes. − Once accepted, the SGC and other platforms such as opnMe , or EUbOPEN provide information of in-depth profiled compounds to the scientific community and support Open Science by free worldwide shipments of chemical probe samples. An ambition of the SGC and its partners is to discover a pharmacological modulator for every protein in the human proteome by the year 2035 (“Target 2035”). , Therefore, we are pleased to report the discovery of the novel potent and selective HSD17B13 inhibitor BI-3231 (compound 45 ).…”

Section: Resultsmentioning

confidence: 99%

“…In recent years, the “Structural Genomics Consortium” (SGC) and its partners have made a concerted effort to define clear criteria for high-quality chemical probes. 63 − 65 Once accepted, the SGC 66 and other platforms such as opnMe 67 , 68 or EUbOPEN 69 provide information of in-depth profiled compounds to the scientific community and support Open Science by free worldwide shipments of chemical probe samples. An ambition of the SGC and its partners is to discover a pharmacological modulator for every protein in the human proteome by the year 2035 (“Target 2035”).…”

Section: Resultsmentioning

confidence: 99%

“…Together with BI-0955 (compound 49, Figure 12A), which can be used as an inactive control (Figure 12B), we make BI-3231 as well-characterized chemical probe available to the worldwide scientific community via the opnMe platform. 67,68 Syntheses of Screening Hit 1 and Chemical Probe 45 (BI-3231). Screening hit 1 was synthesized as outlined in Scheme 1.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Given the high clearance and short half-life of BI-3231, a tailored approach such as multiple daily administrations or the development of an extended-release formulation might be needed to maintain relevant target exposure in subchronic animal models. To support further studies on HSD17B13 via Open Science, BI-3231 will be available for free to the scientific community through the opnMe 67,68 platform (Please place your free order for BI-3231 here: https://opnme.com/molecules/hsd17b13-inhibitor-bi-3231). BI-3231 could also be used as a potential starting point for the synthesis of Proteolysis Targeting Chimeras (PROTACs) 73 which would allow us to compare phenotypes resulting from inhibition versus degradation of HSD17B13.…”

Section: ■ Introductionmentioning

confidence: 99%

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Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science

et al. 2023

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Genome-wide association studies in patients revealed HSD17B13 as a potential new target for the treatment of nonalcoholic steatohepatitis (NASH) and other liver diseases. However, the physiological function and the disease-relevant substrate of HSD17B13 remain unknown. In addition, no suitable chemical probe for HSD17B13 has been published yet. Herein, we report the identification of the novel potent and selective HSD17B13 inhibitor BI-3231. Through high-throughput screening (HTS), using estradiol as substrate, compound 1 was identified and selected for subsequent optimization resulting in compound 45 (BI-3231). In addition to the characterization of compound 45 for its functional, physicochemical, and drug metabolism and pharmacokinetic (DMPK) properties, NAD + dependency was investigated. To support Open Science, the chemical HSD17B13 probe BI-3231 will be available to the scientific community for free via the opnMe platform, and thus can help to elucidate the pharmacology of HSD17B13.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science

et al. 2023

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“…Similarly, Boehringer Ingelheim has launched the OpnMe portal (https://opnme.com) to provide in-house-developed high-quality small molecules freely or via scientific research submissions. 37 Alternatively, chemical probes can be purchased from different suppliers, although we note that in these instances non-critical advice can prevail over critical recommendations that are essential to choose the best available tool compound to investigate a specific target.…”

Section: Rsc Medicinal Chemistry Opinionmentioning

confidence: 99%

The era of high-quality chemical probes

Licciardello

Workman

2022

RSC Med. Chem.

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Kinase Degraders, Activators, and Inhibitors: Highlights and Synthesis Routes to the Chemical Probes on opnMe.com, Part 1

2023

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Kinases are among the most important and successful drug targets. Chemical probe compounds have played a critical role in elucidating the role of kinases in many biological pathways. There are currently twelve well‐validated chemical probes that target kinases available free‐of‐cost via the Molecules to Order (M2O) arm of Boehringer Ingelheim's open innovation platform, opnMe.com. Here we present a summary of the key data for each of these probe compounds and the synthesis routes to all twelve compounds. We hope this will aid researchers who use or plan to use these compounds in their research.

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opnMe.com: a digital initiative for sharing tools with the biomedical research community

Cited by 16 publications

References 5 publications

Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science

Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science

The era of high-quality chemical probes

Kinase Degraders, Activators, and Inhibitors: Highlights and Synthesis Routes to the Chemical Probes on opnMe.com, Part 1

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