Screening Libraries
The success of high throughput screening (HTS) in finding decent starting points for drug discovery heavily largely depends on the quality of the compound library. MedChemExpress (MCE) can provide 200+ compound libraries which include Bioactive Screening Libraries, Diversity Compound Libraries, High Throughput Screening Libraries, Fragment Libraries and DNA Encoded compound Libraries (DEL). These libraries contain over 18 million available compounds. What’s more, each compound has validated bioactivity data and/or physicochemical properties. These compound libraries are useful professional tools for drug discovery and new indications research and can be used for HTS, high-content screening (HCS) and virtual screening (VS).
• Bioactive Screening Libraries: Our ready-to-use bioactive compound libraries consist of over 30,000 small molecules with validated biological and pharmacological activities.
• Diversity Compound Libraries: We offer over 20 ready-to-use libraries, including 80,000+ molecules characterized by novelty, drug-likeness, and diversity.
• Virtual Screening Database: A vast collection of 50+ libraries comprising approximately 8 million diverse screening compounds with unusual structures and unique properties.
• MegaUni Virtual Diversity Library: A massive, AI-generated library of ~10 million compounds designed for superior novelty, drug-likeness, diversity, and synthetic accessibility. It is ideally suited for AI-driven drug discovery and large-scale virtual screening campaigns.
• MedChemExpress (MCE) offers customized compound libraries based on your specific needs. You can select compounds, format (powder/liquid), size and plate map depending on your requirements.
Bioactive Compound Series
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Novel Bioactive Compound Library2,823 compoundsHY-L111
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Targeted Diversity Library2,290 compoundsHY-L099
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Bioactive Compound Library Plus32,925 compoundsHY-L001P
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Bioactive Compound Library27,560 compoundsHY-L001
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Multi-Target Compound Library7,570 compoundsHY-L176
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Bioactive Compound Library Max30,383 compoundsHY-L181
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Withdrawn Drug Compound Library233 compoundsHY-L140
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EMA-Approved Drug Library730 compoundsHY-L116
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Pediatric Drug Library710 compoundsHY-L104
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Drug Repurposing Compound Library5,170 compoundsHY-L035
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Drug Repurposing Compound Library Plus6,173 compoundsHY-L035P
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Clinical Compound Library2,578 compoundsHY-L026
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Clinical Compound Library Plus3,314 compoundsHY-L026P
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NMPA-Approved Drug Library1,534 compoundsHY-L053
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FDA-Approved Drug Library Mini3,247 compoundsHY-L022M
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FDA-Approved Drug Library3,247 compoundsHY-L022
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FDA-Approved Drug Library Plus3,678 compoundsHY-L022P
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FDA Approved & Pharmacopeial Drug Library3,759 compoundsHY-L066
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Off-patent Drug Library2,932 compoundsHY-L141
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FDA-Approved Anticancer Drug Library1,552 compoundsHY-L122
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Classic FDA-Approved Drug Library168 compoundsHY-L261
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Gut Microbial Metabolite Library472 compoundsHY-L078
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Human Metabolite Library6,773 compoundsHY-L123
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Human Endogenous Metabolite Compound Library758 compoundsHY-L030
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Microbial Metabolite Library948 compoundsHY-L084
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Amino Acid Metabolite Compound Library193 compoundsHY-L227
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Mouse Metabolite Compound Library328 compoundsHY-L217
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Mass Spectrometry Human Metabolite Library6,144 compoundsHY-L215
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Nucleotide Metabolite Compound Library83 compoundsHY-L234
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Lipid Metabolite Compound Library143 compoundsHY-L228
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Mass Spectrometry Human Endogenous Metabolite Library665 compoundsHY-L207
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Membrane Receptor-targeted Compound Library7,259 compoundsHY-L150
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Membrane Protein-targeted Compound Library8,134 compoundsHY-L149
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Coagulation and Anti-coagulation Compound Library1,563 compoundsHY-L136
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Osteogenesis Compound Library1,012 compoundsHY-L131
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Chemokine Compound Library267 compoundsHY-L132
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Nuclear Receptor Compound Library1,109 compoundsHY-L126
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5-HT Receptor Compound Library439 compoundsHY-L121
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GABA Receptor Compound Library210 compoundsHY-L120
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Potassium Channel Compound Library340 compoundsHY-L119
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Sodium Channel Blocker Library200 compoundsHY-L118
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Calcium Channel Blocker Library228 compoundsHY-L117
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Oxygen Sensing Compound Library4,431 compoundsHY-L045
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Wnt/Hedgehog/Notch Compound Library670 compoundsHY-L020
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TGF-beta/Smad Compound Library477 compoundsHY-L018
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Stem Cell Signaling Compound Library3,007 compoundsHY-L017
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Protein Tyrosine Kinase Compound Library1,725 compoundsHY-L016
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PI3K/Akt/mTOR Compound Library1,189 compoundsHY-L015
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NF-κB Signaling Compound Library1,873 compoundsHY-L014
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Transcription Factor-Targeted Library2,642 compoundsHY-L090
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Neuronal Signaling Compound Library4,027 compoundsHY-L013
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Membrane Transporter/Ion Channel Compound Library2,332 compoundsHY-L011
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MAPK Compound Library1,198 compoundsHY-L010
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Kinase Inhibitor Library4,072 compoundsHY-L009
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Phosphatase Inhibitor Library185 compoundsHY-L081
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JAK/STAT Compound Library753 compoundsHY-L008
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Immunology/Inflammation Compound Library8,843 compoundsHY-L007
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Histone Modification Research Compound Library949 compoundsHY-L024
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Protein-protein Interaction Inhibitor Library842 compoundsHY-L109
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GPCR/G Protein Compound Library3,570 compoundsHY-L006
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Epigenetics Compound Library2,074 compoundsHY-L005
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Cell Cycle/DNA Damage Compound Library3,617 compoundsHY-L004
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Ubiquitination Compound Library507 compoundsHY-L050
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Reprogramming Compound Library3,301 compoundsHY-L039
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Differentiation Inducing Compound Library2,644 compoundsHY-L038
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Antioxidant Compound Library2,568 compoundsHY-L037
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Neurotransmitter Receptor Compound Library2,628 compoundsHY-L062
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Cytoskeleton Compound Library2,390 compoundsHY-L060
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Angiogenesis-Related Compound Library3,776 compoundsHY-L088
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Mitochondria-Targeted Compound Library1,223 compoundsHY-L089
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Endoplasmic Reticulum Stress Compound Library388 compoundsHY-L054
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Exosomes Compound Library53 compoundsHY-L072
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Mechanoreceptors Compound Library398 compoundsHY-L095
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TCA Cycle Compound Library73 compoundsHY-L148
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Cuproptosis Compound Library466 compoundsHY-L133
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Metabolism/Protease Compound Library7,501 compoundsHY-L012
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Glycolysis Compound Library1,425 compoundsHY-L058
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Autophagy Compound Library2,133 compoundsHY-L029
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Apoptosis Compound Library3,746 compoundsHY-L003
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Ferroptosis Compound Library1,283 compoundsHY-L051
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Glucose Metabolism Compound Library1,833 compoundsHY-L092
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Lipid Metabolism Compound Library1,043 compoundsHY-L091
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Glutamine Metabolism Compound Library1,897 compoundsHY-L064
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Pyroptosis Compound Library2,110 compoundsHY-L059
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Anti-Cancer Metabolism Compound Library3,904 compoundsHY-L083
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Epigenetics Compound Library Mini295 compoundsHY-L005M
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Cytokine Inhibitors Library1,461 compoundsHY-L161
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Lactic Acid Metabolite Compound Library58 compoundsHY-L250
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Mitophagy Compound Library674 compoundsHY-L180
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Serine/Threonine Kinase Inhibitor Library2,339 compoundsHY-L164
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Dopamine Receptor Compound Library285 compoundsHY-L165
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Ion Channel Compound Library1,782 compoundsHY-L166
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Energy Metabolites Library87 compoundsHY-L263
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Extracellular Vesicles (EVs) Compound Library722 compoundsHY-L168
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Cell Death Inhibitor Library Mini23 compoundsHY-L162M
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High-Efficiency Gene Editing Compound Library777 compoundsHY-L244
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RNA Binding Bioactive Compound Library860 compoundsHY-L248
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Cell Proliferation Compound Library3,731 compoundsHY-L201
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Metabolic Enzyme Compound Library4,487 compoundsHY-L146
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Mitochondrial Protection Compound Library1,150 compoundsHY-L144
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Lactylation Compound Library6,313 compoundsHY-L249
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Kinase Inhibitor Library Mini271 compoundsHY-L009M
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Protease Inhibitor Library972 compoundsHY-L147
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KRAS Targeted Compound Library84 compoundsHY-L260
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Mitochondrial Toxicity Compound Library541 compoundsHY-L155
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Cyclic Peptide Library100 compoundsHY-L110
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Peptide Library2,725 compoundsHY-L105
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Nucleotide Compound Library597 compoundsHY-L044
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Lipid Compound Library2,078 compoundsHY-L043
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Glycoside Compound Library922 compoundsHY-L042
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Heterocyclic Compound Library6,554 compoundsHY-L138
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Macrocyclic Compound Library469 compoundsHY-L041
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Covalent Screening Library Plus6,154 compoundsHY-L036P
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Covalent Screening Library1,630 compoundsHY-L036
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Peptidomimetic Library371 compoundsHY-L033
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Cysteine Targeted Covalent Library5,336 compoundsHY-L153
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Boronic Acid Compound Library169 compoundsHY-L167
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Peptide Compound Library886 compoundsHY-L105S
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Dipeptide Compound Library83 compoundsHY-L255
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Fatty Acids Compound Library430 compoundsHY-L182
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Cysteine Targeted Covalent Fragment Library3,780 compoundsHY-L154
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Ionizable Lipid Compound Library91 compoundsHY-L251
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PROTAC Library571 compoundsHY-L151
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Molecular Glue Compound Library127 compoundsHY-L137
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Tumorigenesis-Related Compound Library147 compoundsHY-L100
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Drug Metabolite Library466 compoundsHY-L098
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Animal Disease Model Inducer Library52 compoundsHY-L097
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Inactive Ingredient Library179 compoundsHY-L096
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Chemical Probe Library281 compoundsHY-L063
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Orally Active Compound Library5,640 compoundsHY-L061
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CNS-Penetrant Compound Library1,224 compoundsHY-L028
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Toxins for Antibody-Drug Conjugate Research Library113 compoundsHY-L023
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Food-Sourced Compound Library2,061 compoundsHY-L094
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Food Additive Library450 compoundsHY-L093
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Drug-Induced Liver Injury (DILI) Compound Library642 compoundsHY-L076
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Target Protein Ligand Library131 compoundsHY-L129
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E3 Ligase Ligand Library184 compoundsHY-L128
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Antibiotics Library749 compoundsHY-L067
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Neuroprotective Compound Library1,893 compoundsHY-L070
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Non-steroidal Anti-Inflammatory Compound Library640 compoundsHY-L130
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Macrophage Related Compound Library289 compoundsHY-L174
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Flavors and Fragrances Compound Library496 compoundsHY-L242
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Radiosensitizer Library40 compoundsHY-L179
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Alkyne Compound Library438 compoundsHY-L258
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Cancer Stem Cells Compound Library3,621 compoundsHY-L135
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Antibody Inhibitor Library2,001 compoundsHY-L177
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Immunopotentiator Compound Library152 compoundsHY-L172
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Highly Selective Inhibitors Library6,406 compoundsHY-L158
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Anti-Drug-Resistant Compound Library732 compoundsHY-L169
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Radioprotector Library3,165 compoundsHY-L178
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Inflammasomes related Compound Library182 compoundsHY-L175
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Azide Compound Library101 compoundsHY-L256
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Neurotransmitter Compound Library54 compoundsHY-L186
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Steroid Hormones Library70 compoundsHY-L239
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Cell Death Library3,939 compoundsHY-L162
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Mitochondrial Toxicity Compound Library541 compoundsHY-L155
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Environmental Pollutant Compound Library291 compoundsHY-L247
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Pesticide Compound Library542 compoundsHY-L183
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Allosteric Modulators (AMs) Compound Library262 compoundsHY-L170
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Plant Hormone Library46 compoundsHY-L240
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Chinese Baijiu Compound Library680 compoundsHY-L241
Natural Products Series
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Anti-Cancer Natural Product Library2,063 compoundsHY-L107
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Plant-Sourced Natural Product Library3,376 compoundsHY-L115
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Natural Product-like Compound Library15,498 compoundsHY-L021L
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Natural Product Library Plus6,501 compoundsHY-L021P
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Natural Product Library5,166 compoundsHY-L021
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Marine-Sourced Natural Product Library62 compoundsHY-L143
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Microbial Metabolite Library948 compoundsHY-L084
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Fungal-Sourced Compound Library95 compoundsHY-L253
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Animal-Sourced Natural Product Library983 compoundsHY-L157
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Mass Spectrometry Natural Product Library4,499 compoundsHY-L262
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Anti-Aging Natural Product Library193 compoundsHY-L134
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Bacteria-Sourced Compound Library73 compoundsHY-L254
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Natural Product Diversity Scaffold Library2,243 compoundsHY-L245
Fragment Libraries
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3D Diverse Fragment Library5,282 compoundsHY-L903
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Fragment Library41,368 compoundsHY-L032
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Drug Fragment Library1,399 compoundsHY-L904
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CRBN Ligand Library122 compoundsHY-L934
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Multifunctional Covalent Fragment Library4,865 compoundsHY-L916
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Molecular Glue POI binding Fragment library955 compoundsHY-L935
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Structurally Diverse Fragment Library2,183 compoundsHY-L187
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Allosteric Modulator Fragment Library1,620 compoundsHY-L942
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Unnatural Amino Acids Fragment library571 compoundsHY-L937
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Advanced Macrocyclization Linker Library505 compoundsHY-L951
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Tyrosine Focused Covalent Fragment Library105 compoundsHY-L913
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Lysine Focused Covalent Fragment Library422 compoundsHY-L915
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Serine/Threonine Focused Covalent Fragment Library3,213 compoundsHY-L914
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MCE Kinase Hinge Binder Fragment Library12,364 compoundsHY-L907
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Covalent Fragment Library8,572 compoundsHY-L909
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Cysteine Targeted Covalent Fragment Library3,780 compoundsHY-L154
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Electrophilic Heterocyclic Fragment Library1,859 compoundsHY-L947
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Fragment Library with Good Solubility2,526 compoundsHY-L929
Diversity Compound Libraries
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5K Scaffold Library5,000 compoundsHY-L902
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50K Diversity Library50,000 compoundsHY-L901
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Natural Product-like Compound Library4,806 compoundsHY-L905
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Lead-like Diversity Library Plus80,000 compoundsHY-L901P
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MCE‑18 Novelty Focused Drug‑Like Library11028 compoundsHY-L944
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Allosteric Modulator Lead‑like Compound Library4,227 compoundsHY-L941
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10K Golden Scaffold Library9,937 compoundsHY-L927
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MCE‑18 Novelty drug‑like Library37030 compoundsHY-L943
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Good ADMET Diversity Library25000 compoundsHY-L922
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Norepinephrine Transporter (NET) Compound Library640 compoundsHY-L906
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Antibacterial Lead-like compound library10855 compoundsHY-L939
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Molecular Glue-like Compound Library317 compoundsHY-L918
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GPCR Targeted Diversity Library7,098 compoundsHY-L928
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Antiviral Lead-like compound library5,809 compoundsHY-L940
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Cysteine Protease Focused Library9,348 compoundsHY-L925
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PD-1/PD-L1 Lead-like Library11,465 compoundsHY-L948
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MCE CNS BBB Lead-like Library27,503 compoundsHY-L919
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CNS MPO Lead-like Library24,816 compoundsHY-L920
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Ion Channel Lead-like Compound Library9000 compoundsHY-L923
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Cysteine Protease Focused Covalent Library2,102 compoundsHY-L926
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Antifungal Lead-like compound library8350 compoundsHY-L938
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RNA Binding Library5,619 compoundsHY-L917