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Bioactive Compound Library

Catalog No. L4000
  Library Compound List   Excel SDF

It contains more than 14590 small molecule compounds, with known biological activities causing biological reaction in cells, tissue even whole body, including Clinical compound library (L3400), Preclinical compound library (L3410), and Approved drug library (L1000). All compounds have clear targets and detailed information description, which is the key point to drug research and development like drug repurposing, small molecule inducing stem cell differentiation, and target identification in mechanism interrogation.

Many scientists have identified small molecules that can regulate cell fate and function, and stem cell differentiation by screening annotated bioactive compound library with confirmed activity and known targets. Recent advances in iPSC technology have made reprogramming of somatic cells towards pluripotency possible and simpler. Using both phenotypic screening and hypothesis-driven approaches, a growing number of compounds have been identified that can functionally replace reprogramming transcription factors, enhance efficiency of iPSC generation and accelerate the reprogramming process by single use or a combination of several molecules with success in cardiomyocyte differentiation and proliferation, neural progenitor cells, etc.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.
Compound Libraries | TargetMol
Pack Size
1 mg
30 μL * 10 mM (in DMSO)
50 μL * 10 mM (in DMSO)
100 μL * 10 mM (in DMSO)
250 μL * 10 mM (in DMSO)
If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at inquiry@targetmol.com
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Product Description

  • A collection of 14590 small molecule compounds with validated activity for high throughput screening (HTS), high content screening (HCS), cell induction, and target identification;
  • All compounds have clear targets;
  • An effective tool for discovering new with old drugs, cell induction, and new drug target screening;
  • Covers various disease research areas, such as Cancer, Metabolism, Immunology and Cardiovascular system, etc.
  • Detailed compound information with structure, target, activity, IC50 value, and brief introduction;
  • Structurally diverse, medicinally active, and cell permeable;
  • NMR and HPLC validated to ensure high purity and quality;

Library Customization

Targetmol Compound Libraries can be highly customized! Learn More

Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice
Request Library Compound List (L4000)

Publications Cited TargetMol Libraries

1. ACS nano. 2023. 2. Advanced Science. 2022: 2203388.. 3. Advanced Science. 2020, 7(16): 2000925. 4. Angewandte Chemie. 2021. 5. Signal transduction and targeted therapy. 2021, 6(1): 1-4. 6. Autophagy. 2023: 1-20. 7. Angewandte Chemie International Edition. 2020, 59(24): 9601-9609. 8. The EMBO Journal. 2021, 40(16): e107403. 9. Journal of Cell Biology. 2022, 221(5): e202112024.
10. Cell Reports. 2022, 39(2): 110622. 12. Journal of Translational Medicine. 2023, 21(1): 1-20.. 13. Acta Pharmaceutica Sinica B. 2021 Jun;11(6):1555-1567. 14. Frontiers in Molecular Biosciences. 2022, 9. 15. Marine Drugs. 2023, 21(4): 218. 16. Pharmaceuticals. 2022, 15(5): 556. 17. Frontiers in chemistry. 2022, 10. 18. Journal of Enzyme Inhibition and Medicinal Chemistry. 2022, 37(1): 109-117.. 19. Methods. 2022, 205: 247-262. 20. ACS Infectious Diseases. 2021 Aug 13;7(8):2337-2351. 21. European Journal of Pharmaceutical Sciences. 2023: 106672.. 22. Cancer Science. 2021, 112(11): 4722. 23. Cognitive computation. 2021 Feb 2;1-13. 24. Neoplasia. 2020, 22(4): 179-191. 25. Investigational New Drugs. 2019 May 14: 1-10. 26. Acta Biochimica et Biophysica Sinica. 2021. 27. Interdisciplinary Sciences, Computational Life Sciences. 2020, 12: 368-376. 28. SSRN. 2023. 29. Journal of Southern Medical University. 2022, 42(4): 554-560. 30. bioRxiv. 2022. 31. Journal of Southern Medical University. 2021, 41(12): 1835-1842. 32. bioRxiv. 2021 Feb 15;2021.02.13.431008. 33. Cell Stem Cell. 2022 Apr 29(4) 545–558. 34. Science Bulletin. 2022. 35. Science Translational Medicine. 2022, 14(656): eabn3231. 36. Science Advances. 2023, 9(9): eade3760. 37. Nature. 2020, 582: 289-293. 38. Nature Biotechnology. 2021, 39(11): 1444-1452. 39. Nature Communications. 2022, 13(1): 1-15.. 40. Nature Communications. 2023, 14(1): 1020.. 41. Nature Communications. 2023, 14(1): 2756.. 42. Blood. 2021, 137(11): 1478-1490. 43. Nucleic Acids Research. 2021. 44. Nature Communications. 2023, 14(1): 7574. 45. Acta Pharmaceutica Sinica B. 2022. 46. Protein & Cell. 2021, 12(11): 877-888. 47. Bone Research. 2023, 11(1): 54. 48. Pharmacology & Therapeutics. (2021): 107930. 49. Nature Communications. 2021, 12(1): 1-12. 50. Duo L, Chen Y, Liu Q, et al.Discovery of Novel SOS1 Inhibitors Using Machine Learning.RSC Medicinal Chemistry.2024 51. Wilson D M, Driedger D J, Liu D Y, et al.Targeted sampling of natural product space to identify bioactive natural product-like polyketide macrolides.Nature Communications.2024, 15(1): 2534. 52. Lv S, Pan Q, Lu W, et al.Tenovin 3 induces apoptosis and ferroptosis in EGFR 19del non small cell lung cancer cells.Scientific Reports.2024, 14(1): 7654.
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Library Composition

Apoptosis (1140)
Antibacterial (885)
Autophagy (818)
Endogenous Metabolite (801)
Antibiotic (535)
5-HT Receptor (361)
AChR (305)
Antifungal (287)
Parasite (281)
COX (271)
Adrenergic Receptor (250)
DNA/RNA Synthesis (244)
NF-κB (240)
Dopamine Receptor (224)
CDK (216)
HIV Protease (211)
Calcium Channel (200)
PI3K (200)
Potassium Channel (197)
EGFR (181)
Reactive Oxygen Species (174)
P450 (173)
Histamine Receptor (167)
PDE (165)
VEGFR (162)
Epigenetic Reader Domain (158)
Dehydrogenase (155)
Sodium Channel (147)
Influenza Virus (143)
GABA Receptor (139)
Antioxidant (137)
PPAR (132)
GluR (129)
Histone Methyltransferase (124)
Microtubule Associated (124)
HDAC (122)
TRP/TRPV Channel (121)
JAK (111)
TNF (110)
mTOR (106)
Wnt/beta-catenin (106)
GPR (103)
Topoisomerase (103)
Akt (102)
p38 MAPK (101)
FLT (100)
ERK (99)
Prostaglandin Receptor (98)
Ferroptosis (98)
Estrogen/progestogen Receptor (97)
Src (97)
Phosphatase (96)
PDGFR (94)
Adenosine Receptor (92)
iGluR (92)
AChE (92)
STAT (89)
SARS-CoV (89)
Estrogen Receptor/ERR (86)
HCV Protease (85)
PARP (84)
PKC (84)
FGFR (82)
AMPK (81)
GSK-3 (81)
NMDAR (81)
Opioid Receptor (79)
RAAS (79)
IL Receptor (79)
Nucleoside Antimetabolite/Analog (78)
Raf (77)
Caspase (77)
Virus Protease (76)
NO Synthase (75)
MMP (73)
c-Kit (73)
BCL (73)
c-Met/HGFR (69)
Ras (69)
MAO (68)
Proteasome (67)
Androgen Receptor (67)
Antiviral (67)
Glucocorticoid Receptor (67)
Lipoxygenase (67)
TLR (66)
HSP (66)
Phospholipase (66)
ATPase (64)
Sirtuin (64)
Bcr-Abl (64)
HBV (63)
Beta Amyloid (62)
HSV (62)
Mitochondrial Metabolism (62)
Anti-infection (61)
Cannabinoid Receptor (61)
ROS (59)
TGF-beta/Smad (58)
Aurora Kinase (56)
ALK (56)
Tyrosinase (54)
Mitophagy (54)
MAPK (53)
Drug Metabolite (53)
E1/E2/E3 Enzyme (51)
HIF/HIF Prolyl-Hydroxylase (51)
BTK (51)
JNK (51)
DUB (50)
HER (48)
MEK (48)
Antifection (47)
Casein Kinase (47)
Nrf2 (47)
Tyrosine Kinases (47)
NOS (46)
CCR (46)
Carbonic Anhydrase (46)
Monoamine Oxidase (46)
ROCK (45)
Transferase (45)
Interleukin (45)
P-gp (43)
PKA (43)
IκB/IKK (43)
p53 (43)
Reverse Transcriptase (43)
HIF (42)
Histone Demethylase (42)
Retinoid Receptor (42)
IGF-1R (41)
Serine/threonin kinase (41)
Gamma-secretase (41)
Serotonin Transporter (39)
DNA-PK (39)
P2X Receptor (39)
Integrin (39)
S1P Receptor (38)
CXCR (37)
c-RET (36)
Cysteine Protease (35)
Norepinephrine (35)
TAM Receptor (35)
Immunology/Inflammation related (34)
LPL Receptor (34)
CaMK (33)
ribosome (33)
Serine Protease (33)
Reductase (33)
Hedgehog/Smoothened (33)
S6 Kinase (32)
Proton pump (32)
Trk receptor (32)
Histone Acetyltransferase (32)
FAK (31)
RIP kinase (30)
Chloride channel (30)
Glucosidase (30)
FAAH (30)
Sigma receptor (30)
Ligand for E3 Ligase (29)
Progesterone Receptor (29)
PLK (29)
c-Fms (28)
Fatty Acid Synthase (27)
NADPH (27)
transporter (27)
Thrombin (26)
Aryl Hydrocarbon Receptor (26)
CFTR (26)
NOD (26)
Glucokinase (26)
Mdm2 (26)
DPP-4 (25)
ATM/ATR (25)
Syk (25)
Chk (24)
Kinesin (24)
Acyltransferase (24)
Protease-activated Receptor (24)
DNA Alkylator/Crosslinker (23)
DNA Methyltransferase (23)
PERK (23)
Pim (23)
Rho (23)
Amino Acids and Derivatives (23)
Smo (22)
PDK (22)
HMG-CoA Reductase (22)
Endothelin Receptor (22)
Indoleamine 2,3-Dioxygenase (IDO) (22)
ROR (22)
DNA (22)
FXR (22)
AhR (21)
Thyroid hormone receptor(THR) (21)
P2Y Receptor (21)
Lipase (21)
SGLT (21)
Glutathione Peroxidase (21)
Neurokinin receptor (21)
IRAK (20)
MRP (20)
Epoxide Hydrolase (20)
Glucagon Receptor (20)
Factor Xa (19)
DYRK (19)
LTR (19)
LRRK2 (19)
Hydroxylase (19)
Guanylate cyclase (19)
Xanthine Oxidase (19)
STING (18)
Complement System (18)
cAMP (18)
PAK (18)
DHFR (17)
OX Receptor (17)
PD-1/PD-L1 (17)
LPA Receptor (17)
Antifolate (17)
Leukotriene Receptor (16)
Neuropeptide Y Receptor (16)
IRE1 (16)
Myosin (16)
NOD-like Receptor (NLR) (16)
DNA Alkylation (15)
Aromatase (15)
DNA gyrase (15)
Platelet aggregation (15)
BACE (15)
YAP (15)
Liver X Receptor (15)
c-Myc (15)
IAP (14)
Lipid (14)
Ephrin Receptor (14)
GTPase (14)
PGE Synthase (14)
CSF-1R (14)
PI4K (14)
Vasopressin Receptor (13)
ABC (13)
Aminopeptidase (13)
ROS Kinase (13)
cholecystokinin (13)
RSV (13)
Telomerase (12)
Beta-Secretase (12)
GPCR19 (12)
CETP (12)
Stearoyl-CoA Desaturase (SCD) (11)
Bradykinin Receptor (11)
Discoidin Domain Receptor (DDR) (11)
CaSR (11)
Isocitrate Dehydrogenase (IDH) (11)
Melanocortin Receptor (11)
NADPH-oxidase (11)
GHSR (11)
Phosphorylase (11)
PAI-1 (11)
Free radical scavengers (11)
Monocarboxylate transporter (11)
Monoamine Transporter (11)
Acetyl-CoA Carboxylase (11)
Neurotensin Receptor (11)
LDL (10)
PKM (10)
Imidazoline Receptor (10)
IDO (10)
Melatonin Receptor (10)
NAMPT (10)
IFNAR (10)
ATP Citrate Lyase (9)
GRK (9)
MLK (9)
BCRP (9)
MT Receptor (9)
SGK (9)
PROTACs (9)
UGT (9)
CAT (9)
Adenylyl cyclase (8)
ASK (8)
Dynamin (8)
Wee1 (8)
Porcupine (8)
Glutaminase (8)
PTEN (8)
GST (8)
Neprilysin (8)
Ligands for Target Protein for PROTAC (8)
Arrestin (8)
Tie-2 (7)
MNK (7)
SIK (7)
Arginase (7)
GlyT (7)
Na+/Ca2+ Exchanger (7)
OCT (7)
PAD (7)
p97 (7)
Annexin A (7)
Adenosine deaminase (6)
Somatostatin (6)
TOPK (6)
RAR/RXR  (6)
FLAP (6)
GPX (6)
APC (6)
Aquaporin (6)
AAK1 (AP2 associated kinase 1) (6)
MELK (6)
MyD88 (6)
Molecular Glues (6)
MAGL (6)
Carboxypeptidase (6)
PAFR (6)
OAT (6)
CRISPR/Cas9 (6)
CRM1 (5)
cell cycle arrest (5)
LIM Kinase (5)
MTH1 (5)
Hippo pathway (5)
Angiotensin-converting Enzyme (ACE) (5)
GNRH Receptor (5)
PYK2 (5)
DprE1 (5)
Amylase (5)
Gap Junction Protein (5)
VDAC (5)
TSH Receptor (5)
Methionine Adenosyltransferase (MAT) (5)
Oxytocin Receptor (5)
ACK (5)
cGAS (5)
Decarboxylase (5)
CGRP Receptor (5)
OXPHOS (5)
CRFR (5)
Bombesin Receptor (5)
BMI-1 (5)
Survivin (4)
Adiponectin receptor (4)
MALT (4)
Thrombopoietin Receptor (4)
advanced glycation end products (4)
NEDD8 (4)
Galectin (4)
Pyroptosis (4)
Cell wall (4)
Melanin-concentrating Hormone Receptor (MCHR) (4)
KSP (4)
CD73 (4)
DAPK (4)
PROTAC Linker (4)
NPC1L1 (4)
Glutathione reductase (3)
HCN Channel (3)
Hexokinase (3)
CPT (3)
KLF (3)
AIM2 (3)
Necroptosis (3)
CD38 (3)
Hck (3)
RANKL/RANK (3)
Apelin receptor (3)
Transaminase (3)
GluCls (3)
Na-K-Cl cotransporter (3)
Haspin Kinase (3)
Integrase (2)
Fas/FasL (2)
VDA (2)
lysosomal autophagy (2)
EBI2/GPR183 (2)
ATTECs (2)
Taste receptor (2)
hCE (2)
GSNOR (2)
Prolyl Endopeptidase (PREP) (2)
Protease (2)
NUDIX hydrolase (2)
gp120/CD4 (2)
PGC-1α (2)
FOXO1 (1)
LHRH (1)
Piezo Channel (1)
PACAP (1)
Procollagen C Proteinase (1)
Thioredoxin (1)
stilbene oxidase (1)
Stemness kinase (1)
Fer/FerT kinase (1)
NMU2R (1)
aconitase (1)
Motilin Receptor (1)
Hydrogenase (1)
Neuropeptide W (1)
CYP19A1 (1)
FKBP (1)
RXFP receptor (1)
N-Acetylglucosaminyltransferase (1)
Anion Exchanger (1)
HuR (1)
FABP (1)

Library Information Sample

Empty 1000025-07-9 1000413-72-8 229005-80-5 1000787-75-6 946387-07-1 1000998-59-3 1175526-27-8 1001288-58-9 1001350-96-4 1001404-83-6 Empty
Vadadustat TAK875 TAK-779 Tegobuvir RN-1734 BMS-687453 AM211 FT011 BMS754807 AAI101
Empty 1001625-82-6 1001645-58-4 1001753-24-7 1001908-89-9 1002304-34-8 1002-84-2 100291-86-9 100299-08-9 10030-52-1 10040-45-6 Empty
RPW-24 SRT1720 hydrochloride INH6 SRT 2183 AMG208 Pentadecanoic acid Apiopaeonoside Pemirolast potassium L-Anserine nitrate salt Sodium Picosulfate
Empty 100427-26-7 1004316-88-4 10045-45-1 100462-37-1 1004990-28-6 100-51-6 1005-24-9 1005264-47-0 1005334-57-5 1005342-46-0 Empty
Lercanidipine Cobicistat 1-Ethyl-2-benzimidazolinone ROSIRIDIN PF-AKT400 Benzyl alcohol 1-Methylnicotinamide chloride MX69 CVT-10216 LCL161
Empty 1005491-05-3 100-55-0 1005504-62-0 1005883-72-6 100643-71-8 1007207-67-1 10075-50-0 1007647-73-5 100784-20-1 10083-24-6 Empty
Tirasemtiv Roniacol Rg3039 Z433927330 Desloratadine CH5132799 5-Bromoindole Smurf1-IN-A01 Halosulfuron-methyl Piceatannol
Empty 100872-83-1 100874-08-6 1009119-64-5 1009119-65-6 100929-71-3 1009298-09-2 1009298-59-2 100929-99-5 1009734-33-1 10097-84-4 Empty
ML346 SB 4 Daclatasvir Daclatasvir dihydrochloride NADPH (tetracyclohexanamine) AZD8055 Vistusertib PAβN dihydrochloride HZ1157 Rotundine
Empty 1009816-48-1 1009817-63-3 1009820-21-6 100986-85-4 101001-34-7 1010411-21-8 1010-60-2 1011244-68-0 1011301-27-1 1011529-10-4 Empty
Thiamet G B-AP15 Silmitasertib Levofloxacin Pamicogrel GSK369796 Dihydrochloride 2-Chloronaphthoquinone TFAP Tenovin3 Azvudine
Empty 101152-94-7 101155-02-6 1011557-82-6 1011-74-1 101-20-2 1012054-59-9 101-21-3 101-26-8 101303-98-4 1013101-36-4 Empty
Milnacipran hydrochloride BW-A78U Tenovin-6 DL-Normetanephrine hydrochloride Triclocarban CUDC101 Chlorpropham Mestinon Zacopride hydrochloride PF04691502
Empty 101-31-5 1013-69-0 1013750-77-0 1013753-99-5 10138-52-0 1013920-15-4 1013937-63-7 1014691-61-2 101477-54-7 101494-95-5 Empty
L-Hyoscyamine Noreugenin ML-030 BC-1382 Gadolinium chloride Vorolanib VTP-27999 TFA GSK0660 Lomerizine hydrochloride 8-CHLOROQUINAZOLIN-4(1H)-ONE
TargetMol