By Target / Pathway / Disease

Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).

136,942 products

Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library

Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.

ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.

PROTAC

2,814

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.

Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.

Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.

Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.

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  1. Gabapentin HCl
    CAS: 60142-95-2 EC Number: 262-075-8 Formula: C9H17NO2.HCl Molecular Weight: 207.7
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: G424996
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    Technical Identifiers
    IUPAC Name
    2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
    SMILES
    C1CCC(CC1)(CC(=O)O)CN.Cl
    InChIKey
    XBUDZAQEMFGLEU-UHFFFAOYSA-N
    InChI
    1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
    Synonyms
    1-aminomethyl-1-cyclohexaneacetic acid hydrochloride | 1-aminomethyl-1-cyclohexane-acetic acid hydrochloride | 1amino...
  2. Gabexate Mesylate
    CAS: 56974-61-9 EC Number: 611-438-2 Formula: C16H23N3O4·CH4O3S Molecular Weight: 417.48
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G408437
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    Synonyms
    4-​[[6-​[(aminoiminomethyl)​amino]​-​1-​oxohexyl]​oxy]​-benzoic acid ethyl ester,methanesulfonate (1:1)
  3. GSK621
    CAS: 1346607-05-3 Formula: C26H20ClN3O5 Molecular Weight: 489.91
    ● In Stock — US warehouse, ships to EU* Item #: G413867
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    IUPAC Name
    6-chloro-5-[4-(2-hydroxy-3-methoxyphenyl)phenyl]-3-(3-methoxyphenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
    SMILES
    COC1=CC=CC(=C1)N2C(=O)C3=C(C=C(N3C4=CC=C(C=C4)C5=C(C(=CC=C5)OC)O)Cl)NC2=O
    InChIKey
    KURYSXLJGKKDHT-UHFFFAOYSA-N
    InChI
    1S/C26H20ClN3O5/c1-34-18-6-3-5-17(13-18)30-25(32)23-20(28-26(30)33)14-22(27)29(23)16-11-9-15(10-12-16)19-7-4-8-21(35-2)24(19)31/h3-14,31H,1-2H3,(H,28,show more
    Synonyms
    6-​chloro-​5-​(2'-​hydroxy-​3'-​methoxy[1,​1'-​biphenyl]​-​4-​yl)​-​3-​(3-​methoxyphenyl)​-1H-​Pyrrolo[3,​2-​d]​pyrim...
  4. GV-58
    CAS: 1402821-41-3 EC Number: 110-487-2 Formula: C18H26N6OS Molecular Weight: 374.5
    ● In Stock — US warehouse, ships to EU* Item #: G419967
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    IUPAC Name
    (2R)-2-[[6-[(5-methylthiophen-2-yl)methylamino]-9-propylpurin-2-yl]amino]butan-1-ol
    SMILES
    CCCN1C=NC2=C(N=C(N=C21)NC(CC)CO)NCC3=CC=C(S3)C
    InChIKey
    DPTXJOUVBMUSGY-CYBMUJFWSA-N
    InChI
    1S/C18H26N6OS/c1-4-8-24-11-20-15-16(19-9-14-7-6-12(3)26-14)22-18(23-17(15)24)21-13(5-2)10-25/h6-7,11,13,25H,4-5,8-10H2,1-3H3,(H2,19,21,22,23)/t13-/m1/show more
  5. GW0742, Agonist of Peroxisome proliferator-activated receptor-β/δ
    CAS: 317318-84-6 Formula: C21H17F4NO3S2 Molecular Weight: 471.49
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G408578
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    Synonyms
    Acetic acid, 2-[4-[[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-thiazolyl]methyl]thio]-2-methylphenoxy]-
  6. GW2580, Inhibitor of colony stimulating factor 1 receptor;Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3
    CAS: 870483-87-7 EC Number: 809-788-8 Formula: C20H22N4O3 Molecular Weight: 366.41
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G408784
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    Synonyms
    SC-203877 | 2,4-Pyrimidinediamine, 5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-
  7. GSK620
    CAS: 2088410-46-0 Formula: C18H19N3O3 Molecular Weight: 325.36
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G422531
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    IUPAC Name
    1-benzyl-5-N-cyclopropyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
    SMILES
    CNC(=O)C1=CC(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC3CC3
    InChIKey
    QZZCUOVXHPAQRQ-UHFFFAOYSA-N
    InChI
    1S/C18H19N3O3/c1-19-17(23)15-9-13(16(22)20-14-7-8-14)11-21(18(15)24)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3,(H,19,23)(H,20,22)
    Synonyms
    3,​5-​Pyridinedicarboxamid​e,N5-​cyclopropyl-​1,​2-​dihydro-​N3-​methyl-​2-​oxo-​1-​(phenylmethyl)​-
  8. GSK690693, Protein kinase C (PKC) inhibitor
    CAS: 937174-76-0 EC Number: 804-554-1 Formula: C21H27N7O3 Molecular Weight: 425.48
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G409035
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    Synonyms
    4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-((S)-piperidin-3-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-...
  9. GSK962
    CAS: 2049872-86-6 Formula: C14H18N2O Molecular Weight: 230.31
    ● In Stock — US warehouse, ships to EU* Item #: G413128
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    IUPAC Name
    2,2-dimethyl-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
    SMILES
    CC(C)(C)C(=O)N1C(CC=N1)C2=CC=CC=C2
    InChIKey
    NJQVSLWJBLPTMD-GFCCVEGCSA-N
    InChI
    1S/C14H18N2O/c1-14(2,3)13(17)16-12(9-10-15-16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3/t12-/m1/s1
  10. GW501516, Peroxisome proliferator-activated receptor delta agonist
    CAS: 317318-70-0 Formula: C21H18F3NO3S2 Molecular Weight: 453.5
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G423297
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    Technical Identifiers
    IUPAC Name
    2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
    SMILES
    CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
    InChIKey
    YDBLKRPLXZNVNB-UHFFFAOYSA-N
    InChI
    1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
    Synonyms
    HMS3744O09 | HY-10838 | 2-[2-Methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]aceti...
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Frequently Asked Questions

What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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