Focused and targeted libraries
Throughout our synthetic and screening explorational studies, we have developed a diverse array of strategies for compound selection suitable for both broad and highly specific (targeted) categories of compounds. Our current catalog features over 100 pre-designed, targeted and focused libraries provided below.More details...
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23,432 compounds
CNS BBB Library is a set of blood-brain barrier permeable compounds with high chemical diversity and novelty of structures.
65,000 compounds
Anticancer Library is a set of small-molecule compounds with anticancer activity and vast target space.
2000 compounds
Library of Immunomodulatory imide drugs (IMiD) like compounds . Targeting several known E3 ligase - warhead interactions . IMiD small molecule library Both PROTACs and Molecular Glues are the hot topics in drug discovery because they make possible to pharmacologically address targets previously deemed “undruggable”.
8,436 compounds
The DarkKinome refers to a subset of protein kinases that are less studied compared to their more prominent counterparts.
4400 compounds
Covalent serine binders library, 10 warhead scaffolds 4 400 compounds
13,000 compounds
RORγ Library is small molecules set targeted against autoimmune diseases.
30000 compounds
Proteolytic enzymes are crucial for a variety of biological processes in organisms ranging from lower to higher organisms. Proteases cleave proteins into smaller fragments by catalyzing peptide bonds hydrolysis.
374 compounds
Small-molecule compounds that act as antifungals, antibiotics and anti-cancer agents for drug dicsovery.
2,111 compounds
ChemDiv’s RNA-Protein Interaction Inhibitors Library contains 2,111 compounds.
39,301 compounds
Set of covalent inhibitors with warheads that target cysteine.
5000 compounds
Cytosolic phospholipase A2 (GIVA cPLA2) is involved in a number of inflammatory diseases. Synthetic inhibitors of GIVA cPLA2 attracted great interest as potential antiinflammotory drugs
1400 compounds
The library contains 1400 compounds that seems to be analogues of approved drugs.
958 compounds
Ubiquitin-specific-processing protease 7 . Based on docking scores and conformation overlays, structures were selected to form the final library
5,886 compounds
SH2 PTB domains Focused Library is a set of inhibitors. SH2 and PTB are small protein modules that mediate PPIs involved in signal transduction pathways.
31,972 compounds
Serine Proteases Inhibitors Library is a set of small-molecule compounds that target serine proteases and can be used in anticancer drug discovery.
24,000 compounds
RNA’s as targets are generally tougher than proteins, but the expected payoff is also significant. In particular, messenger and non-coding RNAs contain highly structured elements, and evidence suggests that many of these structures are important for function. Targeting these RNAs with small molecules offers opportunities to therapeutically modulate numerous cellular processes, including those linked to ‘undruggable’ protein targets
1,156 compounds
Purine Based Nucleoside Mimetics Library is nucleoside analogues that mimic metabolic purines. They are extracellular messengers and endogenous modulators.
36,324 compounds
Protein Kinases Inhibitors Library is modulators that are used in cancer and inflammation treatment.
31,000 compounds
PRMT Library is set of small-molecule compounds with reported affinity against cancer-assosiated PRMTs.
2,081 compounds
Proline Kinase Library is a set of kinase inhibitors. These kinases play a crucial role in diverse cellular processes and human diseases.
19,000 compounds
PI3K-Targeted Library is a set of small-molecule inhibitors of PI3K signaling pathway. They can be used in effective inhibiting tumor progression.
491 compounds
PD-1/L1 Library is a set of PD-1 and PD-L1 inhibitors. It is a group of anticancer drugs that block the activity of immune checkpoint proteins.
2,292 compounds
Nucleoside Mimetics Library is a set of modified nucleosides that are used as antiviral and antitumor drugs. They were also designed for HIV therapy.
9,000 compounds
Nucleic Acid Ligands is a set of minor and major groove DNA or RNA binders. Such small molecules have proven to be effective antiviral and cancer agents.
4,003 compounds
Small molecules that can inhibit NOTUM thus potentially treating diseases caused by dysregulation of Wnt signaling.
17,880 compounds
"Molecular Glue"-like small molecule commercial compounds for HTS
4,805 compounds
MEF2-HDAC (class II) Modulators Library is a set of drug-like compounds aimed at modulating PPI of MEF2 with HDAC involved in physiological processes.
23,319 compounds
MDM2-p53 Interaction Inhibitors Library is a set of drug-like compounds aimed at modulating PPI of MDM2 with p53 involved in tumorigenesis.
3,856 compounds
Lysine-specific histone demethylases (KDM) Library
16,000 compounds
KRAS-Targeted Library is a set of novel KRAS-active compounds.
8,000 compounds
Inhibitors of beta-Catenin Signaling is small molecules that target PPI of beta-catenin with other proteins involved in significant physiological processes.
10,991 compounds
Heat shock protein 90 Targeted Library is a set of small-molecule modulators that inhibit the activity of HSP90/70 and can be used as anticancer drugs.
13,938 compounds
Library for discovery of GLP1R agonists. GLP-1R (Glucagon-like peptide-1 receptor) is a crucial target for therapeutic agent development because its activation plays a significant role in regulating glucose levels and appetite. GLP-1R agonists are used for treating type 2 diabetes and obesity, making the discovery of new, effective compounds particularly important.
2,230 compounds
Developmental Pathway Hh/Wnt Set is inhibitors of the Hedgehog and Wnt-signaling pathways implicated in cancer.
7,801 compounds
Set of small-molecule compounds that can target cysteine proteases and be used in drug development for cancer, viral, infections treatment.
5,000 compounds
Carbonic anhydrase II library is a set of compounds belonging to the sulfonamides, mercaptans and phenols aimed at modulating of Carbonic anhydrase II activity
15,080 compounds
Molecules from c-Met Library target receptor tyrosine kinase. It prevents binding hepatocyte growth factor with c-Met which can lead to cancer.
11,568 compounds
Bcl2 PPI Inhibitors Library is small molecules that inhibit regulators of programmed cell death.
4,550 compounds
Autophagy-Targeted Library is a set of small-molecule modulators for the regulation of autophagy.
10,000 compounds
Set of small-molecule serine/threonine kinases family inhibitors.
11,076 compounds
A comprehensive search for obesity-targeting molecules was conducted using established databases including ChEMBL, Google Patents, SciFinder, and Clarivate Cortellis Drug Discovery Intelligence.
18,000 compounds
Antimitotic Tubulin Library is a set of small-molecule tubulin binders. These inhibitors are potential antimitotic drugs for anticancer therapy.
17,000 compounds
Angiogenesis Library is a set of small-molecule compounds that target proteins involved in new blood vessels forming.
4,244 compounds
Androgen Receptor Antagonists Library is a set of non-steroidal small molecules for prostate cancer treatment.
26,000 compounds
Small‐molecule allosteric kinase modulators that target allosteric pockets of kinases outside the conserved ATP‐binding pocket.
15,000 compounds
Akt Targeted Library is a set of small-molecule inhibitors of the Akt-signaling network. These inhibitors are widely used in cancer treatment.
23,032 compounds
Regenerative Medicine Focused Library is a chemical space that includes promoters of regeneration. They help to repair diseased organs or tissues.
3,271 compounds
Purinergic Library is a set of purinergic receptor antagonists. Such antagonists are used for thrombosis and stroke treatment.
22,214 compounds
Macl-GPIb alpha set targets leukocyte-platelet interaction. This leads to an antithrombotic effect.
9,149 compounds
Lipid Metabolism Library is a set of small-molecule modulators of proteins involved in lipid metabolism.
23,000 compounds
Cardiovascular Library is a set of small-molecule compounds with vast target space for cardiovascular disease drug discovery.
23,000 compounds
We assembled a library of potential tTG inhibitors using as a seed a combination of known ChEMBL tTG ligands, which were expanded in several iterations, using chemoinformatics techniques and molecular docking, thus expanding the chemical space of reversible tTG ligands. The resulting molecules were grouped into the medicinal chemistry forming series with reasonable diversity within each group, thus facilitating hit-to-lead transition for early hits.
7,000 compounds
T-cell immunoglobulin and mucin domain 3 (TIM-3) library . Acute myeloid leukemia (AML) is a type of cancer that arises from stem cell precursors of the myeloid lineage.
40,000 compounds
Small-molecule compounds that can be used in GPCR drug discovery. Dysregulation of these receptors causes diabetes, CNS disorders.
25,000 compounds
Molecular glue compounds that are capable of regulating cereblon (CRBN) conformation is the next generation in pharmaceutically targeting proteasomal degradation of a specific protein, building on top of and extending the IMiD, PROTAC and general molecular glue directions.
16,846 compounds
The library of Aryl Hydrocarbon Receptor (AhR) modulators represents a sophisticated collection of compounds designed to interact with a critical regulatory protein involved in various physiological and pathological processes.
6,354 compounds
Papain-like protease Library is a set of drug-like compounds for COVID-19. They inhibit viral replication and the dysregulation of signaling cascades in infected cells.
7,300 compounds
Immunological Library is a set of small-molecule compounds that target vast space of proteins involved in immune system.
21,145 compounds
Coronavirus Library (COVID-19) is a set of small-molecule compounds that prevent coronaviral binding and further replication.
87,000 compounds
Antiviral Library is a set of small-molecule antiviral agents. These inhibitors target a wide range of viral proteins.
11,000 compounds
Antiviral HBV Library is a set of non-nucleoside compounds for HBV treatment.
15,000 compounds
Antibacterial Compounds Library is a set small-molecule inhibitors of bacterial vital proteins.
28,000 compounds
Anti-Inflammatory Library is a set of small-molecule compounds that target pivotal proteins and receptors participating in the inflammatory process.
19,320 compounds
Anti-infective Library is a set of small-molecule compounds against various infectious agents.
21,000 compounds
Anti-HIV1 Library is a set of anti-HIV1 small-molecule agents for different viral targets.
3,051 compounds
Angiotensin-converting enzyme Library is a set of small-molecule inhibitors of the SARS-CoV-2 binding site.
4,792 compounds
3-chymotrypsin-like protease Library is a set of small-molecule compounds for inhibiting coronavirus replication.
20,000 compounds
microRNAs (miRs) are small (~18e25 nucleotides)
12,206 compounds
Set of small-molecule compounds that inhibit MCL1 thus restoring the apoptotic pathway in tumor cells.
4,723 compounds
Voltage-Gated Ion Channel-Targeted set is small molecule compounds that contribute to treating pain.
10,813 compounds
Neurotransmitter Transporter Inhibitors Library is a set of small-molecule inhibitors. They are used to treat mental disorders.
3,743 compounds
Ligand-Gated Ion Channels Library is a set of small-molecule compounds that target LGICs. They can be used in the treatment of neurodegenerative disorders.
44,085 compounds
CNS Targets Library is a set of small-molecule compounds acting on various CNS targets.
28,284 compounds
CNS MPO Library is a set of drug-likeness designed via Multi-Parameter Optimization for improved BBB-permeability.
26,000 compounds
CNS library is a unique set of small molecule compounds for protein targets relevant for the CNS therapeutic area and neurological related diseases.
13,000 compounds
Ocular Diseases small molecules library covers several ocular diseases: Diabetic Macular Edema (DME), Age-Related Macular Degeneration (AMD), Cataract, Glaucoma.
7,123 compounds
Set of GABA receptor antagonists. These drug-like compounds inhibit the action of GABA and produce stimulant and convulsant effects.
3,000 compounds
Neuropeptide S Library is a set of small-molecule NPSR ligands. They can be used in psychiatric disorders treatment as anxiolytics and analgesics.
2675 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
3434 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
5071 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
9320 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
24763 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
21000 compounds
Adenosine Receptors Targeted Library is a set of small-molecule ligands. They can be used for treating neurodegeneration diseases.
26,421 compounds
Ion Channels Focused Library is small-molecule compounds selected for modulating ion channels proteins. They are therapeutic targets of CNS diseases.
8,000 compounds
Type II Kinase Inhibitors Library is a set of non-ATP site inhibitors or activators that bind to an extended ATP site including a back pocket.
12,000 compounds
Diacylglycerol kinase Inhibitors Library is a set of small-molecules that can inhibit the progression of cancer and innate cytotoxic immunocytes.
6500 compounds
Set of small-molecule compounds that can target Factor XIa
8,600 compounds
Chelators targeting matrix metalloproteinases are small-molecule that inhibit proteolytic activity of tumor cells and prevent metastasis.
3,900 compounds
RPTP Targeted Library is small-molecule inhibitors. Disruption of protein tyrosine phosphorylation contributes to a variety of human diseases.
32,596 compounds
PTPN Targeted Library is a set of small-molecule inhibitors. Protein tyrosine phosphatases are important signaling molecules in cell proliferation.
6,767 compounds
Set of RAR receptor antagonists. The retinoic acid receptor is a type of nuclear receptor which can also act as a transcription factor.
5,000 compounds
Glucocorticoid Receptors Library is small-molecule selective modulators of GR which regulates gene transcription.
597 compounds
TLR-8 Ligands Library is a set of small-molecule TLR-8 agonists. They can be used in adjuvantation research and for the treatment of ovarian cancer.
5,939 compounds
STING Agonist Library is small-molecules that bind and activate STING and lead to IFN production. Can be used in cancer immunotherapy.
1,708 compounds
Integrin Receptors Targeted library is a set of RGD peptides or peptidomimetics that affect many events in tumor cells thereby directly induce apoptosis.
6,000 compounds
Indoleamine 2,3-dioxygenase1 Focused Library is a set of small-molecule compounds that can inhibit inappropriate IDO activity in tumours.
5,000 compounds
BRD4 Targeted Library is a set of small-molecule compounds that inhibit transcriptional and epigenetic regulator - BRD4.
2,016 compounds
Arginase Targeted Library is a set of small-molecule compounds against arginase. This enzyme is implicated in cancer immunosuppression and tumor growth.
7,000 compounds
TMEM175 is a protein involved in several key cellular functions. It acts as a channel for both potassium ions (specifically facilitating potassium ion leakage) and protons.
20,563 compounds
Spiro Library is a set of scaffolds with twisted structure of two or more rings for the design of new therapeutic agents.
12,000 compounds
SH2 Domain Library is a set of inhibitors. SH2 are modular units, which bind to tyrosyl-phosphorylated peptide on their target protein mediating PPI.
23,943 compounds
Recognition Elements PPI Library includes conformationally constrained analogues of bioactive peptides: gamma-, beta-turns, dipeptide mimetics.
205,497 compounds
PPI Library is a set of small-molecule modulators that have been designed for disrupting PPI and reducing its drawbacks.
23,722 compounds
PPI Tripeptide Mimetics Library is small-molecule PPI inhibitors that mimic significant endogenous tripeptides.
68,388 compounds
PPI Helix Turn 3D Mimetics Library was designed on sp3-enriched scaffolds that mimic key recognition elements of protein secondary structure.
2,679 compounds
Small-molecule compounds that mimic the action of protein and modulates PPI.
36,711 compounds
Small molecules that mimic the action of peptides thus modulating PPI. Protein secondary structures are targets for mimicry.
3,055 compounds
Selective small-molecule PDZ inhibitors. They help to overcome drawbacks of PPI.
48,530 compounds
A chemical library has been developed to facilitate the screening of inhibitors targeting several proteins, including farnesyl protein transferase (FPT), HIV-1 capsid protein p24 (GAG), exportin 1 (XPO1), and β-cardiac myosin 7 (MYH7).
19,079 compounds
Library contains nonpeptide small-molecules that inhibit PPI. They are structural mimetics to target proteins.
13,858 compounds
Compounds predicted to have high potential for mitochondrial activity were selected to form the MITOCHONDRIA SPECIFIC LIBRARY
2,335 compounds
Macrocycles Library is a set of macrocyclic peptidomimetics that are potential PPI modulators. It is unique spiro and fused scaffolds.
12,744 compounds
This chemical library is a specialized collection of compounds focused on targets relevant to immunology and inflammation. It has been curated using known ligands for these targets as a starting point. The assembly process involved computational methods leveraging 2D similarity, 3D similarity, and shape similarity searching to identify molecules structurally related to known active compounds.
35,019 compounds
Designed to highlight compounds with promising ADME (Absorption, Distribution, Metabolism, and Elimination) properties
12,103 compounds
Eccentric PPI Library is a set of unusual ring systems (scaffolds) that lie outside the field of (hetero)aromatic systems.
9,487 compounds
Set of PPI modulators. Cyclic lactam amides result from the Ugi reaction of bifunctional keto carboxylic acids.
4200 compounds
The use of covalently binding inhibitors is steadily growing, with numerous molecules progressing through the stages of clinical trials and even make it to become marketed drugs.
5,816 compounds
Bromodomain Modulators Library is a set of drug-like compounds aimed at modulating PPI of bromodomain-containing proteins with other vital proteins.
24,737 compounds
Alpha-Helix Mimetics Library is a set of peptidomimetics. Alpha-helices are key recognition elements of protein secondary structure.
20,000 compounds
Chemokine Receptor Targeted Library is a set of small-molecule ligands. Modulation of chemokine receptor is used in the treatment of inflammatory diseases.
9,769 compounds
Set of small-molecule HDAC inhibitors. HDAC regulate gene expression and its inhibitors act against cancers, neurodegenerative and inflammatory diseases.
21,000 compounds
Epitranscriptome Focused Small Molecule Library modulates the activity of proteins involving in aberrant RNA modification.
25,883 compounds
Focused Epigenetics Library is a set of small-molecule modulators that target epigenetic proteins.
50,410 compounds
Anti-Aging Library is small molecules targeting cellular pathways and biological targets that are implicated in aging.
29,000 compounds
RNA Isosteric Trinucleotide Mimetics is small molecules targeting RNA expansion repeats. Trinucleotide repeats overexpression causes various disorders.
1,503 compounds
3D Mimetics PPI Library is a set of small-molecule compounds that mimic key recognition elements of protein secondary structure.
498 compounds
Steroid-like compounds library is steroid-based molecules that regulate biological function. These synthetic steroids can treat inflammation.
9,753 compounds
Indole Derivatives Library is indole-based compounds. These heterocyclic compounds are active molecules with anti-inflammatory effects.
12,563 compounds
Set consists of sp3-enriched β-lactams, generic library of covalent inhibitors, smart library of covalent inhibitors, smart library of covalent fragments.
90,769 compounds
Beyond the Flatland Library sp3-enriched is a set of saturated small-molecules with chemical properties for a faster transition of compounds from discovery to drugs.
4,063 compounds
3D Fragment Library is a set of small-molecule compounds with diverse and well-developed 3D-shapes for HTS and fragment-based drug discovery.
190,000 compounds
Privileged Fragments Annotated library contains 190k elements of 23 classes
11,269 compounds
Fragments Library is a set of small-molecules with high diversity, reduced structural complexity, drug-likeness. They possess a potential for "fragment evolution” and “fragment linking".
2,109 compounds
ChemDiv's Crystallographic and 19F NMR fragment libraries contain Fluorine Fragments (1480 compounds) and Bromine Fragments (629 compounds). The fragment library consists of small-molecule compounds containing fluorine or bromine atoms. These fragments are well suited for high throughput screening based on fluorine NMR or X-ray crystallography.
799 compounds
Smart library of covalent inhibitors and fragments with a wide range of reactivity warheads.
18,500 compounds
Natural-Product-Based Library is a set of small-molecule compounds. Natural products have proven successful modulators of difficult targets.
9,000 compounds
Frequent Hitters Library is a set of small-molecule compounds that were classified as potentially frequent hitters in high-throughput screening.
25,000 compounds
Dark Chemical Matter Library is a set of small-molecules that have never shown biological activity despite having been exhaustively tested in HTS assays.
4000 compounds
The triazole moiety is present in a large number of FDA-approved drugs, drug candidates, and lead compounds
46,370 compounds
New Agro Library is a set of agrochemicals for usage in crop/agro science.
25,376 compounds
Antiparasite Library is a set of small-molecule compounds for drug discovery. It consists of antibacterial, antifungal and insecticide chemicals.
16,824 compounds
Antifungal Library is a set of small-molecule compounds that target fungi proteins and can be used in antifungal drug development.