Chemical Probes for Open Access

Probe Name:
BAY-9835

Negative Pair:
BAY-1880

D. Meibom et al. BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J. Med. Chem. 2024, 67, 2907–2940.

Probe Name:
BAY 1125976

Negative Pair:
BAY-940

O. Politz et al. BAY 1125976, A Selective Allosteric AKT1/2 Inhibitor,
Exhibits High Efficacy on AKT Signaling-dependent Tumor Growth in
Mouse Models. Int. J. Cancer 2017, 140, 449–459.

Probe Name:

BAY-6096

Negative Pair:

BAY-726

D. Meibom et al. BAY-6096: A Potent, Selective, and Highly Water-Soluble Adrenergic α2B Antagonist. J. Med. Chem. 2023, 66, 4659–4670.

Probe Name:
BAY-3827

Negative Pair:
BAY-974

C. Lemos et al. The Potent AMPK Inhibitor BAY-3827 Shows Strong
Efficacy in Androgen-dependent Prostate Cancer Models. Cell. Oncol.
2021, 44, 581–594.

C. Lemos et al. BAY-3827, A Selective Inhibitor of AMPK for the Evaluation of the Role of AMPK in MYC-dependent Tumors. AACR poster 2018.

Probe Name:
BAY-850

Negative Pair:
BAY-460

A. E. Fernández-Montalván et al. Isoform-Selective ATAD2 Chemical
Probe with Novel Chemical Structure and Unusual Mode of Action. ACS
Chem. Biol. 2017, 12, 2730–2736.

I. Hartung et al. Probing the Cancer Epigenome – Empowering Target
Validation by Open Innovation. AACR poster 2017.

Probe Name:
BAY-069

Negative Pair:
BAY-771

J. Günther et al. BAY-069, a novel (trifluoromethyl) pyrimidinedione-based BCAT1/2 inhibitor and chemical probe. J. Med. Chem. 2022, 65, 14366–14390.

Probe Name:
BAY-299

Negative Pair:
BAY-364

L. Bouché et al. Benzoisoquinolinediones as Potent and Selective
Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem.
2017, 60, 4002–4022.

I. Hartung et al. Probing the Cancer Epigenome – Empowering Target
Validation by Open Innovation. AACR poster 2017.

Probe Name:
BAY 1816032
 

Negative Pair:
BAY-283
 

G. Siemeister et al. Inhibition of BUB1 kinase by BAY 1816032 sensitizes tumor cells toward taxanes, ATR, and PARP inhibitors in vitro and in vivo. Clin. Cancer. Res. 2019, 25, 1404–1414.

Probe Name:
BAY-3153

Negative Pair:
BAY-173

Probe Name:
BAY-474

Negative Pair:
BAY-827

Probe Name:
BAY-179

Negative Pair:
BAY-070

G. Mowat et al. Identification of the Highly Active, Species Cross-
Reactive Complex I Inhibitor BAY-179. ACS Med. Chem. Lett. 2022, 13, 348–357.

Probe Name:
BAY-885

Negative Pair:
BAY-693

D. Nguyen et al. Discovery and Characterization of the Potent and
Highly Selective (Piperidin-4-yl)pyrido[3,2-d]pyrimidine Based in
Vitro Probe BAY-885 for the Kinase ERK5. J. Med. Chem. 2019, 62,
928–940.

Probe Name:
BAY-6672

Negative Pair:
BAY-403

H. Beck et al. Potent and Selective Human Prostaglandin F (FP)
Receptor Antagonist (BAY-6672) for the Treatment of Idiopathic
Pulmonary Fibrosis (IPF). J. Med. Chem. 2020, 63, 11639–11662.

Probe Name:
BAY-876

Negative Pair:
BAY-588

H. Siebeneicher et al. Identification and Optimization of the First
Highly Selective GLUT1 Inhibitor BAY-876. Chem. Med. Chem.
2016, 11, 2261–2271.

Probe Name:
BAY-784

Negative Pair:
BAY-786

O. Panknin et al. Discovery and Characterization of BAY 1214784,
an Orally Available Spiroindoline Derivative Acting as a Potent and
Selective Antagonist of the Human Gonadotropin-Releasing
Hormone Receptor as Proven in a First-In-Human Study in
Postmenopausal Women. J. Med. Chem. 2020, 63, 11854–11881.

Probe Name:
BAY-678

Negative Pair:
BAY-677

F. von Nussbaum et al. Freezing the Bioactive Conformation to
Boost Potency: The Identification of BAY 85-8501, a Selective and
Potent Inhibitor of Human Neutrophil Elastase for Pulmonary
Diseases. Chem. Med. Chem. 2015, 10, 1163–1173.

F. von Nussbaum et al. Neutrophil Elastase Inhibitors for the
Treatment of (Cardio) pulmonary Diseases: Into Clinical Testing
with Pre-adaptive Pharmacophores. Bioorg. Med. Chem. Lett.
2015, 25, 4370–4381.

Probe Name:
BAY-899

Negative Pair:
BAY-897

L. Wortmann et al. Discovery of BAY-298 and BAY-899: Tetrahydro-
1,6-naphthyridine-Based, Potent, and Selective Antagonists of the
Luteinizing Hormone Receptor Which Reduce Sex Hormone Levels
in Vivo. J. Med. Chem. 2019, 62, 10321–10341.

Probe Name:

BAY-277

Negative Pair:

Bay-8805

Probe Name:
BAY-7598

Negative Pair:
BAY-694

Probe Name:
BAY-707

Negative Pair:
BAY-604

F. Rahm et al. Creation of a Novel Class of Potent and Selective
MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based
Screening and Structure-Based Drug Design. J. Med. Chem. 2018,
61, 2533–2551.

M. Ellermann et al. Novel Class of Potent and Cellularly Active
Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target
ACS. Chem. Biol. 2017, 12, 1986–1992.

Probe Name:
BAY-1797

Negative Pair:
BAY-207

S. Werner et al. Discovery and Characterization of the Potent and
Selective P2X4 Inhibitor N-[4-(3-Chlorophenoxy)-3-
sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-
Guided Amelioration of Its CYP3A4 Induction Profile. J. Med.
Chem. 2019, 62, 11194–11217.

Probe Name:
BAY-386

Negative Pair:
BAY-448

Probe Name:
BAY-7081

Negative Pair:
BAY-7424
 

D. Meibom et al. BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J. Med. Chem. 2022, 65, 16420–16431.

Probe Name:
BAY-091

Negative Pair:
BAY-0361

L. Wortmann et al. Discovery and Characterization of the Potent
and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091
and BAY-297 of the Kinase PIP4K2A. J. Med. Chem. 2021, 64,
15883–15911.

Probe Name:
BAY-549

Negative Pair:
BAY-4900

H. Schirok et al. Design and synthesis of potent and selective
azaindole-based Rho kinase (ROCK) inhibitors. Chem. Med. Chem.
2008, 3, 1893–1904.

Probe Name:
BAY-598

Negative Pair:
BAY-369

E. Eggert et al. Discovery and Characterization of a Highly Potent
and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for
the Protein Lysine Methyltransferase SMYD2. J. Med. Chem. 2016,
59, 4578–4600.

I. Hartung et al. Probing the Cancer Epigenome – Empowering Target
Validation by Open Innovation. AACR poster 2017.

Probe Name:
BAY-6035

Negative Pair:
BAY-444
 

S. Gradl et al. Discovery of the SMYD3 Inhibitor BAY-6035 Using
Thermal Shift Assay (TSA)-Based High-Throughput Screening. SLAS
Discov. 2021, 26, 947–960.

S. Gradl et al. Discovery and characterization of BAY-6035, a novel
benzodiazepine-based SMYD3 inhibitor. AACR poster 2018.

Probe Name:
BAY-293

Negative Pair:
BAY-294

R. C. Hillig et al. Discovery of potent SOS1 inhibitors that block RAS
activation via disruption of the RAS–SOS1 interaction. Proc. Natl.
Acad. Sci. U.S.A. 2019, 116, 1551–2560.

Probe Name:
BAY-985

Negative Pair:
BAY-440

J. Lefranc et al. Discovery of BAY-985, a Highly Selective TBK1/IKKε
Inhibitor. J. Med. Chem. 2020, 63, 601–612.

Probe Name:
BAY-826

Negative Pair:
BAY-309

H. Schneider et al. Novel TIE-2 inhibitor BAY-826 displays in vivo efficacy in experimental syngeneic murine glioma models. J. Neurochem. 2017, 140, 170–182.

Probe Name:
BAY-390

Negative Pair:
BAY-9897
 

S. Mesch et al. Discovery of BAY-390, a Selective CNS Penetrant Chemical Probe as Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonist. J. Med. Chem. 2023, 66, 1583–1600.

 Probe Name:
BAY-805

Negative Pair:
BAY-728
 

F. Göricke et al. Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin Specific Protease USP21. J. Med. Chem. 2023, 66, 3431–3447.

Probe Name:

Pecavaptan

Negative Pair:

BAY-2297

P. Kolkhof et al. Vascular Protection and Decongestion Without Renin–Angiotensin–Aldosterone System Stimulation Mediated by a Novel Dual-Acting Vasopressin V1a/V2 Receptor Antagonist. J Cardiovasc. Pharmacol. 2019, 74, 44–52