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TargetMol | Compound Library

Bioactive Compounds Library Max

Catalog No. L4010

Bioactive Compound Library Max is a collection of 26342 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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Product Description Product Description

  • A collection of 26342 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.

Packaging And Storage | TargetMol Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice

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Apoptosis
Antibacterial
Endogenous Metabolite
Autophagy
Antibiotic
5-HT Receptor
AChR
Antifungal
Parasite
Adrenergic Receptor
COX
NF-κB
DNA/RNA Synthesis
Dopamine Receptor
Calcium Channel
CDK
HIV Protease
Potassium Channel
Antioxidant
PI3K
EGFR
Histamine Receptor
Sodium Channel
Dehydrogenase
PDE
Epigenetic Reader Domain
Cytochromes P450
Reactive Oxygen Species
GABA Receptor
VEGFR
GluR
Histone Methyltransferase
TRP/TRPV Channel
PPAR
Influenza Virus
Microtubule Associated
HDAC
Phosphatase
TNF
GPR
JAK
Wnt/beta-catenin
Cholinesterase (ChE)
mTOR
Topoisomerase
Akt
p38 MAPK
SARS-CoV
Prostaglandin Receptor
Antiviral
Src
Estrogen/progestogen Receptor
RAAS
ERK
Ferroptosis
PKC
FLT
Adenosine Receptor
PARP
IL Receptor
HCV Protease
NMDAR
Opioid Receptor
STAT
Estrogen Receptor/ERR
Nucleoside Antimetabolite/Analog
PDGFR
iGluR
MMP
Caspase
AMPK
FGFR
GSK-3
Virus Protease
Bcl-2 Family
NO Synthase
Lipoxygenase
Raf
Androgen Receptor
TLR
MAO
Glucocorticoid Receptor
ROS
c-Kit
Beta Amyloid
Cannabinoid Receptor
c-Met/HGFR
HBV
HSP
Phospholipase
ATPase
Bcr-Abl
Proteasome
ALK
TGF-beta/Smad
Mitochondrial Metabolism
HSV
Anti-infection
Tyrosinase
Drug Metabolite
MAPK
Sirtuin
Nrf2
Histone Demethylase
DUB
HIF/HIF Prolyl-Hydroxylase
Integrin
JNK
Antifection
NOS
PKA
Aurora Kinase
Ras
HER
Transferase
Mitophagy
ROCK
CCR
P-gp
Tyrosine Kinases
E1/E2/E3 Enzyme
p53
Gamma-secretase
IκB/IKK
MEK
Monoamine Oxidase
Carbonic Anhydrase
Immunology/Inflammation related
Casein Kinase
Interleukin
Reverse Transcriptase
HIF
Neurokinin receptor
Cysteine Protease
P2X Receptor
CXCR
S1P Receptor
Reductase
Retinoid Receptor
PROTACs
Serotonin Transporter
Norepinephrine
IGF-1R
Serine Protease
Serine/threonin kinase
Glucosidase
FAK
CaMK
DNA-PK
LPL Receptor
RIP kinase
Hedgehog/Smoothened
c-RET
NOD
Trk receptor
Histone Acetyltransferase
Sigma receptor
TAM Receptor
S6 Kinase
Proton pump
Fatty Acid Synthase
FAAH
ATM/ATR
transporter
Chloride channel
PERK
Progesterone Receptor
c-Fms
Amino Acids and Derivatives
Glucokinase
Acyltransferase
ribosome
PLK
Syk
HMG-CoA Reductase
CFTR
Mdm2
DPP-4
Pim
Neuropeptide Y Receptor
Endothelin Receptor
Thrombin
Protease-activated Receptor
Chk
DNA
NADPH
Cholecystokinin Receptor
Rho
Glucagon Receptor
cAMP
Kinesin
Thyroid hormone receptor(THR)
Aryl Hydrocarbon Receptor
DNA Methyltransferase
AhR
ROR
DNA Alkylator/Crosslinker
LTR
Smo
STING
Complement System
IRAK
DHFR
P2Y Receptor
BACE
Lipase
Leukotriene Receptor
LPA Receptor
Melanocortin Receptor
PDK
DYRK
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FXR
Guanylate cyclase
Xanthine Oxidase
Indoleamine 2,3-Dioxygenase (IDO)
SGLT
LRRK2
PD-1/PD-L1
BTK
Glutathione Peroxidase
MRP
Platelet aggregation
ADC Cytotoxin
YAP
DNA Alkylation
Vasopressin Receptor
Bradykinin Receptor
OX Receptor
Epoxide Hydrolase
Hydroxylase
c-Myc
GNRH Receptor
Kras
Liver X Receptor
PAK
Ephrin Receptor
RSV
Aromatase
GTPase
IAP
PGE Synthase
Ligand for E3 Ligase
ROS Kinase
NOD-like Receptor (NLR)
IRE1
Myosin
PI4K
Antifolate
ABC Transporter
Telomerase
GHSR
Neurotensin Receptor
CSF-1R
LDL
Somatostatin
Lipid
Beta-Secretase
Aminopeptidase
NADPH-oxidase
Monocarboxylate transporter
Molecular Glues
GPCR19
PAI-1
Acetyl-CoA Carboxylase
MicroRNA
Arrestin
Glutaminase
PAFR
DNA gyrase
Monoamine Transporter
Stearoyl-CoA Desaturase (SCD)
Discoidin Domain Receptor (DDR)
Ligands for Target Protein for PROTAC
IFNAR
CETP
CaSR
NAMPT
IDO
GRK
Phosphorylase
Isocitrate Dehydrogenase (IDH)
MNK
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GPX
Apelin receptor
Melatonin Receptor
UGT
Bombesin Receptor
BCRP
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GST
MLK
Imidazoline Receptor
PKM
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Dynamin
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LIM Kinase
MT Receptor
Angiotensin-converting Enzyme (ACE)
ATP Citrate Lyase
Porcupine
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SGK
Gap Junction Protein
GlyT
PTEN
PAD
Wee1
ASK
Carboxypeptidase
APC/C
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CRM1
Na+/Ca2+ Exchanger
OCT
AAK1
PYK2
Amylase
SIK
Annexin A
MAGL
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TSH Receptor
CRFR
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Protease
Oxytocin Receptor
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p97
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ACK1
MRGPR
CD73
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BMI-1
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CD38
gp120/CD4
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Vitamin
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Adiponectin Receptor
Hexokinase
KSP
Thrombopoietin Receptor
AIM2
Transaminase
Necroptosis
FABP
Haspin Kinase
Na-K-Cl cotransporter
OXPHOS
PSMA
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CPT
GluCls
HuR
KLF
Liposome
Taste receptor
GSNOR
NUDIX hydrolase
Piezo Channel
EBI2/GPR183
Glutaminyl Cyclase
VDA
FOXO1
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Fas/FasL
PACAP
Integrase
PROTAC Linker
Transketolase
ADC Linker
hCE
RXFP receptor
ATTECs
Lysosomal Autophagy
Glyoxalase
IGF-2R
stilbene oxidase
CYP19A1
Procollagen C Proteinase
Neuropeptide W
Aconitase
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Stemness kinase
Motilin Receptor
Anion Exchanger
Thioredoxin
glycosidase
Mucin
Huntingtin
NEDD4-1
FKBP
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REV-ERB
Fer/FerT kinase
NMU2R
Sodium-dependent phosphate transporter
PGC-1α