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TargetMol | Compound Library

Bioactive Compounds Library Max

Catalog No. L4010

Bioactive Compound Library Max is a collection of 26421 compounds with biological activity that elicit biological responses in cells, tissues and even individuals. It includes drug molecules that are in preclinical studies, clinical-phase studies and those that are already on the market. With clear targets and comprehensive information, it is ideal for drug repurposing, cell induction and differentiation, and protein target identification in biochemical mechanistic studies.

Because of the clear activity and known targets, many scientists will select small molecules from the Bioactive Compound Library that can be used for cell induction and differentiation. By the combined actions of a single or several small molecules, molecules capable of inducing various somatic cells into induced pluripotent stem cells, neural precursor cells, cardiomyocytes, etc. have been screened; there have even been successful trials of induced differentiation in vivo using combinations of small molecules.

The Bioactive Compound Library Max is a more extensive version of the Bioactive Compound Library (L4000), with the addition of TargetMol's unique and novel compounds (Part B), all of which have clear targets and have been tested for activity at the cellular level. Therefore, it has more novel structures than approved drug libraries and leads to easier active compounds discovery than drug-like compound libraries.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.

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Catalog No. L4010

Bioactive Compounds Library Max

sizeIn stock

  • 1 mg
  • 30 μL x 10 mM (in DMSO)
  • 50 μL x 10 mM (in DMSO)
  • 100 μL x 10 mM (in DMSO)
  • 250 μL x 10 mM (in DMSO)
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Packaging And Storage Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
  • This compound library is provided at a concentration of 10 mM in DMSO. A small number of compounds may be provided in different solvents or concentrations due to solubility or stability requirements. Please refer to the specific product information for details.

Product Description Product Description

  • A collection of 26421 bioactive compounds for high-throughput screening, high-content screening, cell induction and target identification.
  • All compounds are described with corresponding target information, which makes activity studies more evidence-based.
  • An effective tool for drug repurposing and cell-induced target screening.
  • Covers multiple areas of disease studies, such as cancer, metabolism, immune system and cardiovascular system.
  • Detailed instructions, compound structures, target information, activity descriptions, etc.
  • Structural diversity, significant drug potency and cell penetration.

Advantages Introduction Advantages Introduction

High-Standard Entry Criteria

TargetMol's Bioactive Compounds Library Max is established upon rigorous entry standards to ensure that every compound included is structurally well-defined and of exceptional purity, verified through multiple analytical techniques such as NMR, HPLC, and LC-MS. Our multi-layered screening mechanism effectively eliminates compounds with ambiguous structures, such as mixtures and polymers. Moreover, we specifically exclude substances like sunscreens, contrast agents, dyes, fragrances, plastic additives, and intermediates—compounds typically lacking biological activity due to their specificity and stability, which generally prevent interactions with biological systems. This meticulous curation reduces time and resource waste caused by ineffective screenings. To further enhance hit rates in activity screening, we have introduced TargetMol’s exclusive novel compounds (Part B), all of which have well-defined targets and have undergone activity testing at both cellular and protein levels.

Significant Structural Diversity

TargetMol’s Bioactive Compounds Library Max features extensive scaffold diversity and structural complexity, offering a substantial advantage in drug discovery. Based on the Bemis-Murcko scaffold classification, our library is categorized into 15,111 unique classes, each representing a distinct molecular scaffold, thereby extensively covering a broad chemical space. The compounds range from simple to highly complex structures, providing a diverse foundation for identifying lead compounds with strong affinity and specificity toward target proteins. This structural richness significantly advances pharmaceutical innovation. Whether targeting traditional drug targets or emerging, more challenging ones, our Bioactive Compounds Library Max offers a wealth of candidate molecules to accelerate the drug development process.

 Bioactive Compounds Library Max
Library Diversity Analysis

Superior Drug-Like Properties

73% of the compounds in TargetMol's Bioactive Compounds Library Max comply with Lipinski’s "Rule of Five" (Ro5), indicating excellent bioavailability and permeability.

 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max

Multidimensional Pharmacokinetic Analysis

A multidimensional evaluation is conducted on TargetMol’s Bioactive Compounds Library Max, which systematically analyzes three key pharmacological parameters: blood-brain barrier permeability, cardiotoxicity (HERG K+ channel inhibition), and oral absorption performance.

 Bioactive Compounds Library Max  Bioactive Compounds Library Max  Bioactive Compounds Library Max

15% of the compounds can cross the blood-brain barrier, while 85% cannot.
58% of the compounds exhibit cardiotoxicity, while 42% do not.
60% of the compounds are highly orally absorbable, 28% are orally absorbable, and 12% are poorly orally absorbable.

Diverse Compound Collection

TargetMol’s Bioactive Compounds Library Max encompasses a wide range of molecule types with diverse biological activities. This includes approved drugs, clinical trial candidates, literature-reported bioactive compounds, and molecules capable of eliciting responses at the cellular, tissue, or even whole-organism level. The library covers not only major signaling pathways and targets but also many emerging therapeutic targets. The Bioactive Compounds Library Max (L4010) is established upon the classic L4000 library by adding approximately 300 new targets, bringing the total to nearly 900 targets across about 4,000 receptors. This significantly enhances the likelihood of successful screening hits. The library spans a broad spectrum of therapeutic areas, including cancer, cardiovascular diseases, and neurological disorders.

 Bioactive Compounds Library Max  Bioactive Compounds Library Max
 Bioactive Compounds Library Max  Bioactive Compounds Library Max

Regular Updates to Compound Libraries

We ensure our compound libraries remain at the forefront of scientific research by regularly updating our database with compounds mentioned in cutting-edge literature and newly custom-synthesized compounds.

Flexible Packaging Options

We offer a variety of standard packaging sizes (e.g., 30 μL, 50 μL, 100 μL, 250 μL, 1 mg), and we can customize packaging solutions to meet specific needs.

Customized Services

To support specific needs, we offer tailored screening services, including the design and synthesis of customized compound libraries and the execution of personalized screening projects. Our highly flexible service model is designed to efficiently meet unique needs of scientists and accelerate breakthrough discoveries.

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Apoptosis
Endogenous Metabolite
Antibacterial
Autophagy
Antibiotic
5-HT Receptor
Parasite
Antifungal
DNA/RNA Synthesis
AChR
NF-κB
Adrenergic Receptor
COX
Reactive Oxygen Species
Calcium Channel
Dopamine Receptor
Potassium Channel
CDK
HIV Protease
Cytochromes P450
PI3K
Ras
EGFR
Antioxidant
Dehydrogenase
Sodium Channel
Histamine Receptor
PDE
Epigenetic Reader Domain
GABA Receptor
VEGFR
Influenza Virus
Akt
TNF
Virus Protease
iGluR
p38 MAPK
PPAR
GluR
TRP/TRPV Channel
Histone Methyltransferase
Microtubule Associated
ERK
Caspase
Cholinesterase (ChE)
SARS-CoV
HDAC
mTOR
Wnt/beta-catenin
Nucleoside Antimetabolite/Analog
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JAK
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NO Synthase
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Drug Metabolite
Src
PARP
STAT
Interleukin
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MMP
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HCV Protease
Estrogen/progestogen Receptor
PKC
FLT
Adenosine Receptor
AMPK
NMDAR
RAAS
IL Receptor
Opioid Receptor
GSK-3
FGFR
PDGFR
Mitochondrial Metabolism
Glucocorticoid Receptor
Androgen Receptor
Beta Amyloid
TGF-beta/Smad
HSP
HIF/HIF Prolyl-Hydroxylase
TLR
Monoamine Oxidase
Raf
Proteasome
MAO
Lipoxygenase
Nrf2
c-Met/HGFR
MDM-2/p53
MAPK
HBV
Cannabinoid Receptor
ROS
Phospholipase
c-Kit
ATPase
Tyrosinase
Bcr-Abl
HSV
ALK
JNK
Sirtuin
E1/E2/E3 Enzyme
DUB
Integrin
LPL Receptor
Transferase
Mitophagy
Serine Protease
Histone Demethylase
Glucosidase
Amino Acids and Derivatives
Kras
PKA
Antifection
PROTACs
NOS
Aurora Kinase
Carbonic Anhydrase
Tyrosine Kinases
ROCK
Serotonin Transporter
Immunology/Inflammation related
p53
CCR
Casein Kinase
P-gp
IκB/IKK
Gamma-secretase
Reverse Transcriptase
MEK
Cysteine Protease
Reductase
Angiotensin-converting Enzyme (ACE)
HIF
IGF-1R
Retinoid Receptor
Histone Acetyltransferase
Serine/threonin kinase
NOD-like Receptor (NLR)
CXCR
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RIP kinase
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Aryl Hydrocarbon Receptor
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CaMK
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DNA-PK
NOD
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TAM Receptor
Fatty Acid Synthase
FAAH
transporter
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Chloride channel
Glucokinase
Trk receptor
DNA Methyltransferase
Progesterone Receptor
Smo
CFTR
HER
Syk
ribosome
Glutathione Peroxidase
Hydroxylase
Pim
DPP-4
PLK
HMG-CoA Reductase
PD-1/PD-L1
Mdm2
Thyroid hormone receptor(THR)
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Thrombin
P2Y Receptor
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IRAK
DNA
DNA Alkylator/Crosslinker
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DHFR
Glucagon Receptor
Chk
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DYRK
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YAP
Cholecystokinin Receptor
AhR
ROS Kinase
Complement System
cAMP
LTR
IDO
ROR
Indoleamine 2,3-Dioxygenase (IDO)
PGE Synthase
ADC Cytotoxin
Xanthine Oxidase
STING
Factor Xa
BTK
SGLT
LPA Receptor
PDK
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LRRK2
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Liver X Receptor
PAK
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MRP
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OX Receptor
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Glutaminase
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Aromatase
Epoxide Hydrolase
Beta-Secretase
Ligands for Target Protein for PROTAC
Ephrin Receptor
IFNAR
Stearoyl-CoA Desaturase (SCD)
Telomerase
Monoamine Transporter
Lipid
IRE1
PAFR
Aminopeptidase
GTPase
GNRH Receptor
PAI-1
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GPCR19
PI4K
CaSR
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Melanocortin Receptor
ABC Transporter
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Arrestin
LDL
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Neurotensin Receptor
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NR4A
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FKBP
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UGT
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NAMPT
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GRK
Phosphorylase
Melatonin Receptor
GPX
Apelin receptor
OAT
MLK
PKM
MIF
Survivin
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Porcupine
OCT
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SGK
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Wee1
IKZF
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p97
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SIK
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ACK1
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Succinate Receptor 1 (SUCNR1)
E3 Ligase Ligand-Linker Conjugate
Neuropeptide FF Receptor
BMI-1
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MTH1
Orphan Receptor
ASBT
Cuproptosis
gp120/CD4
ASCT
VDAC
Adiponectin Receptor
PROTAC Linker
Advanced Glycation End Products
Hck
Na-K-Cl cotransporter
FOXO3
Taste receptor
NPC1L1
LDLR
Hexokinase
PGK1
EBI2/GPR183
CPT
Factor VIIa
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PSMA
HuR
FABP
KSP
Cadherin
GluCls
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NEDD4-1
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ADC Linker
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Y Box Binding Protein 1
GDNF
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Photosystem (PS)
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Piezo Channel
NUDIX hydrolase
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hCE
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Glyoxalase
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OLIG2
stilbene oxidase
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glycosidase
CD74
Procollagen C Proteinase
Stemness kinase
Early 2 Factor (E2F)
Poly(ADP-ribose) Glycohydrolase (PARG)
Neuropeptide W
Aconitase
Motilin Receptor
Thioredoxin
Enteropeptidase (EP)
CYP19A1
B7
Target Protein Ligand-Linker Conjugate
AUTACs
Fer/FerT kinase
Tight Junction Protein
MAP3K
Urea Transporter
Chemerin Receptor
IGF-2R
Sodium-dependent phosphate transporter
PGC-1α
NMU2R
Drug-Linker Conjugates for ADC
NMUR

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