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Building blocks
Substructure Search for Screening Compounds
Focused and targeted libraries
Protein-Protein Interaction Library
211,413
PPI Helix Turn 3D-Mimetics Library
68,388
Peptidomimetic Library
36,711
PDZ PPI Library
3,055
Nonpeptide Peptidomimetics PPI Library
18,417
Cyclic Ugi PPI Library
9,487
Alpha-Helix Mimetics Library
24,737
Peptidomimetics of Beta-Turn Motifs Library
2,123
Macrocycles Library
2,335
3D Mimetics PPI Library
1,503
Recognition Elements PPI Library
23,943
Bcl2-PPI Inhibitors Library
11,568
Inhibitors of beta-Catenin Signaling
6,960
MDM2-p53 interaction inhibitors Library
21,144
SH2 PTB Focused Library
5,886
Nucleoside Mimetics Library
2,292
Purine Based Nucleoside Mimetics Library
1,156
CNS MPO Library
28,284
CNS Library
26,000
GABA Library
7,123
Purinergic Library
3,271
Neurotransmitter Transporter Inhibitors Library
10,813
Ligand-Gated Ion Channels Library
3,743
Voltage-Gated Ion Channel-Targeted Library
4,723
GPCR Targeted Library
29,185
Protein Kinases Inhibitors Library
36,324
Akt-Targeted Library
15,000
Allosteric Kinases Inhibitors Library
22,697
Aurora A-B Kinases Targeted Library
9,342
KRAS-Targeted Library
8,843
Proline Kinase Library
2,081
Type II Kinase Inhibitors Library
6,996
C-Met Library
15,080
PI3K-Targeted Library
16,720
Antiviral Library
65,937
Anti-HIV1 Library
18,507
Antiviral HBV Library
9,726
CORONAVIRUS Library
20,750
Androgen Receptor Antagonists Library
4,244
Anticancer Library
61,619
Antimitotic Tubulin Library
17,182
Developmental Pathway (Hh/Wnt) Set
2,230
MEF2-HDAC (class II) Modulators Library
4,805
Cysteine Proteases Inhibitors Library
7,801
Serine Proteases Inhibitors Library
31,972
Protein Arginine Methyltransferases Library
27,102
Immunological Library
6,531
PD-1/L1 Library
491
TLR-8 ligands Library
597
Anti-Inflammatory Library
24,162
See all >
Active Reference Sets
Human GPCR Annotated Library
5,584
CNS Annotated Library
704
Human Phosphatases Annotated Library
209
Human Receptors Annotated Library
5,398
Human Transcription Factors Annotated Library
5,114
Human Proteases Annotated Library
2,886
Human Ion Channels Annotated Library
351
Human Kinases Annotated Library
2,464
CNS targets activity set
6,584
Selective Target Activity Profiling Library
14,839
Therapeutical Diversity Annotated Library
7,567
ChemoGenomic Annotated Library for Phenotypic Screening
90,959
3D-Biodiversity Library
27,659
Target Identification, Phenotypic Screening library (TIPS)
27,664
Launched & Clinically Evaluated Drugs Library
190
Antiviral Annotated Library
21,667
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library
1,790
See all >
Diversity libraries
Representative Diversity Libraries
50,000 / 100,000 / 150,000
SmartTM Library
50,213
Soluble Diversity Library
15,500
Targeted Diversity Library
39,646
MCE-18 Trends in Medicinal Chemistry
50,820
3D-Diversity Natural-Product-Like Library
17,656
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm)
207,525
3D-Pharmacophore Based Diversity Library
52,000
See all >
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Nervous system
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Nervous system
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Neurotransmitter Transporter Inhibitors Library
10,813 compounds
Neurotransmitter Transporter Inhibitors Library is a set of small-molecule inhibitors. They are used to treat mental disorders.
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library
32,596 compounds
PTPN Targeted Library is a set of small-molecule inhibitors. Protein tyrosine phosphatases are important signaling molecules in cell proliferation.
Protein Kinases Inhibitors Library
36,324 compounds
Protein Kinases Inhibitors Library is modulators that are used in cancer and inflammation treatment.
GPCR Targeted Library
29,185 compounds
Small-molecule compounds that can be used in GPCR drug discovery. Dysregulation of these receptors causes diabetes, CNS disorders.
Ion Channels Focused Library
26,421 compounds
Ion Channels Focused Library is small-molecule compounds selected for modulating ion channels proteins. They are therapeutic targets of CNS diseases.
RNA Isosteric Trinucleotide Mimetics Library
28,544 compounds
RNA Isosteric Trinucleotide Mimetics is small molecules targeting RNA expansion repeats. Trinucleotide repeats overexpression causes various disorders.
Histone Deacetylases (HDAC) Targeted Library
9,769 compounds
Set of small-molecule HDAC inhibitors. HDAC regulate gene expression and its inhibitors act against cancers, neurodegenerative and inflammatory diseases.
Cysteine Proteases Inhibitors Library
7,801 compounds
Set of small-molecule compounds that can target cysteine proteases and be used in drug development for cancer, viral, infections treatment.
Receptor protein tyrosine phosphatases
3,765 compounds
RPTP Targeted Library is small-molecule inhibitors. Disruption of protein tyrosine phosphorylation contributes to a variety of human diseases.
Ligand-Gated Ion Channels Library
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.
Proline Kinase Library
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.
Autophagy-Targeted Library
4,550 compounds
Autophagy-Targeted Library is a set of small-molecule modulators for the regulation of autophagy.
Adenosine Receptors Targeted Library
19,626 compounds
Adenosine Receptors Targeted Library is a set of small-molecule ligands. They can be used for treating neurodegeneration diseases.
Purinergic Library
3,271 compounds
Purinergic Library is a set of purinergic receptor antagonists. Such antagonists are used for thrombosis and stroke treatment.
Purine Based Nucleoside Mimetics Library
1,156 compounds
Purine Based Nucleoside Mimetics Library is nucleoside analogues that mimic metabolic purines. They are extracellular messengers and endogenous modulators.
Epitranscriptome Focused Small Molecule Library
20,989 compounds
Epitranscriptome Focused Small Molecule Library modulates the activity of proteins involving in aberrant RNA modification.
Glucocorticoid receptors Library
4,768 compounds
Glucocorticoid Receptors Library is small-molecule selective modulators of GR which regulates gene transcription.
CNS MPO Library
28,284 compounds
CNS MPO Library is a set of drug-likeness designed via Multi-Parameter Optimization for improved BBB-permeability.
Integrin Receptors Targeted library
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.
Nucleic Acid Ligands
8,118 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.
Voltage-Gated Ion Channel-Targeted Library
4,723 compounds
Voltage-Gated Ion Channel-Targeted set is small molecule compounds that contribute to treating pain.
Neuropeptide S Library
2,800 compounds
Neuropeptide S Library is a set of small-molecule NPSR ligands. They can be used in psychiatric disorders treatment as anxiolytics and analgesics.
CNS Library
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.
CNS BBB Library
22,790 compounds
CNS BBB Library is a set of blood-brain barrier permeable compounds with high chemical diversity and novelty of structures.
CNS Targets
44,085 compounds
CNS Targets Library is a set of small-molecule compounds acting on various CNS targets.
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