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TargetMol | Compound Library

Bioactive Compounds Library Max

Catalog No. L4010

Bioactive Compound Library Max is a collection of 27302 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 27302 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
Antibacterial
Endogenous Metabolite
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
Antioxidant
EGFR
Dehydrogenase
Histamine Receptor
Sodium Channel
Epigenetic Reader Domain
PDE
GABA Receptor
VEGFR
Akt
TNF
p38 MAPK
Caspase
Influenza Virus
Virus Protease
PPAR
Cholinesterase (ChE)
iGluR
GluR
TRP/TRPV Channel
ERK
Histone Methyltransferase
Microtubule Associated
SARS-CoV
HDAC
Nucleoside Antimetabolite/Analog
JAK
mTOR
GPCR
Bcl-2 Family
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Wnt/beta-catenin
PARP
NO Synthase
Prostaglandin Receptor
Topoisomerase
Interleukin
STAT
Ferroptosis
Drug Metabolite
Estrogen Receptor/ERR
AMPK
MMP
Src
PKC
HCV Protease
Anti-infection
IL Receptor
Antiviral
Estrogen/progestogen Receptor
FLT
Opioid Receptor
ROS
Adenosine Receptor
NMDAR
RAAS
Androgen Receptor
GSK-3
Mitochondrial Metabolism
PDGFR
HIF/HIF Prolyl-Hydroxylase
FGFR
Beta Amyloid
TGF-beta/Smad
Glucocorticoid Receptor
TLR
HSP
Monoamine Oxidase
Raf
Proteasome
c-Met/HGFR
Nrf2
Lipoxygenase
MAPK
Phospholipase
MAO
Tyrosinase
MDM-2/p53
HBV
JNK
c-Kit
Cannabinoid Receptor
ATPase
ALK
HSV
Bcr-Abl
Sirtuin
Amino Acids and Derivatives
Serine Protease
Histone Demethylase
E1/E2/E3 Enzyme
Transferase
Glucosidase
Integrin
DUB
LPL Receptor
Mitophagy
PKA
Kras
Immunology/Inflammation related
Aurora Kinase
PROTACs
Casein Kinase
Carbonic Anhydrase
Antifection
NOS
p53
P-gp
CCR
Serotonin Transporter
IκB/IKK
Tyrosine Kinases
ROCK
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Gamma-secretase
MEK
IGF-1R
HIF
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NOD-like Receptor (NLR)
Angiotensin-converting Enzyme (ACE)
Retinoid Receptor
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CXCR
Histone Acetyltransferase
Neurokinin receptor
S1P Receptor
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P2X Receptor
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PERK
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Aryl Hydrocarbon Receptor
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NOD
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Acyltransferase
Fatty Acid Synthase
TAM Receptor
c-Fms
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DNA-PK
transporter
Chloride channel
Trk receptor
Glucokinase
ATM/ATR
FAAH
CFTR
DNA Methyltransferase
Syk
Progesterone Receptor
Glutathione Peroxidase
Smo
PLK
HER
PD-1/PD-L1
Thyroid hormone receptor(THR)
DPP-4
Hydroxylase
P2Y Receptor
ribosome
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HMG-CoA Reductase
Glucagon Receptor
FXR
DNA
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Chk
Mdm2
DNA Alkylator/Crosslinker
c-Myc
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cAMP
IRAK
Protease-activated Receptor
Complement System
DYRK
Endothelin Receptor
ROS Kinase
Kinesin
AhR
ADC Cytotoxin
Rho
YAP
ROR
Xanthine Oxidase
LTR
Factor Xa
IDO
Indoleamine 2,3-Dioxygenase (IDO)
PGE Synthase
Lipase
PDK
LPA Receptor
STING
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BTK
IAP
Guanylate cyclase
OXPHOS
OX Receptor
LRRK2
Melanocortin Receptor
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MAGL
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Neuropeptide Y Receptor
MRP
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PAK
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IFNAR
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Glutaminase
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Epoxide Hydrolase
Myosin
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Ligands for Target Protein for PROTAC
Bradykinin Receptor
Beta-Secretase
Ephrin Receptor
PAFR
Pyroptosis
Monoamine Transporter
Stearoyl-CoA Desaturase (SCD)
GPCR19
PI4K
Photosensitizer
IRE1
LDL
Acetyl-CoA Carboxylase
GST
PAI-1
GTPase
CSF-1R
Neurotensin Receptor
CaSR
ABC Transporter
MicroRNA
Somatostatin
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Arrestin
Monocarboxylate transporter
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GHSR
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ATG
FKBP
PKM
MyD88
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NR4A
UGT
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MLK
IKZF
GRK
MIF
Imidazoline Receptor
Dynamin
Melatonin Receptor
OAT
NAMPT
GPX
Na+/Ca2+ Exchanger
OCT
PYK2
FLAP
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Gap Junction Protein
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Amylase
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PAD
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MT Receptor
AAK1
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E3 Ligase Ligand-Linker Conjugate
Thrombopoietin Receptor
p62
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CGRP Receptor
Oxytocin Receptor
Adenylyl Cyclase
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TSH Receptor
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TOPK
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NEDD8
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Adenosine Deaminase
BMI-1
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Hippo pathway
MTP
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Na-K-Cl cotransporter
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Succinate Receptor 1 (SUCNR1)
KLF
FOXO3
ADC Linker
VDAC
Orphan Receptor
Cuproptosis
CD38
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DprE1
MTH1
AAK1 (AP2 associated kinase 1)
Cell wall
ACK1
AIM2
ASBT
LDLR
CD73
NPC1L1
ASCT
Haspin Kinase
Hexokinase
PGK1
Cadherin
PROTAC Linker
gp120/CD4
Adiponectin Receptor
Advanced Glycation End Products
Taste receptor
Hck
CPT
Glutathione reductase
Endonuclease
EBI2/GPR183
Factor VIIa
Huntingtin
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glycosidase
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RXFP receptor
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Glyoxalase
Integrase
TMV
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Y Box Binding Protein 1
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hCE
NUDIX hydrolase
Transketolase
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HCAR
Drug-Linker Conjugates for ADC
Ferroportin
OLIG2
B7
Procollagen C Proteinase
Enteropeptidase (EP)
Fer/FerT kinase
stilbene oxidase
Early 2 Factor (E2F)
CD74
Motilin Receptor
Chemerin Receptor
Anion Exchanger
N-Acetylglucosaminyltransferase
Target Protein Ligand-Linker Conjugate
Poly(ADP-ribose) Glycohydrolase (PARG)
Stemness kinase
AUTACs
Urea Transporter
Neuropeptide W
Thioredoxin
LHRH
Tight Junction Protein
CYP19A1
MAP3K
NMU2R
IGF-2R
PGC-1α
Sodium-dependent phosphate transporter
NMUR

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