Targets & Pathways

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).

136,943 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

2,815

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. WAY-661054
    CAS: 872457-88-0 PubChem CID: 16261359 Formula: C20H21F2N3O2S Molecular Weight: 405.46
    ● In Stock — US warehouse, ships to EU* Item #: W417949
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    Technical Identifiers
    IUPAC Name
    1-cyclopentyl-N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
    SMILES
    CC1=C(N=C(S1)NC(=O)C2CC(=O)N(C2)C3CCCC3)C4=CC(=C(C=C4)F)F
    InChIKey
    VJRGCLUHKGEUPV-UHFFFAOYSA-N
    InChI
    1S/C20H21F2N3O2S/c1-11-18(12-6-7-15(21)16(22)8-12)23-20(28-11)24-19(27)13-9-17(26)25(10-13)14-4-2-3-5-14/h6-8,13-14H,2-5,9-10H2,1H3,(H,23,24,27)
    Synonyms
    1-Cyclopentyl-N-(4-(3,4-difluorophenyl)-5-methylthiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
  2. WAY-235142
    CAS: 380550-28-7 PubChem CID: 2879461 Formula: C17H18N2O Molecular Weight: 266.34
    ● In Stock — US warehouse, ships to EU* Item #: W418446
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    IUPAC Name
    1-[1-(2-phenylethyl)benzimidazol-2-yl]ethanol
    SMILES
    CC(C1=NC2=CC=CC=C2N1CCC3=CC=CC=C3)O
    InChIKey
    HOJAOELPHPNGOZ-UHFFFAOYSA-N
    InChI
    1S/C17H18N2O/c1-13(20)17-18-15-9-5-6-10-16(15)19(17)12-11-14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3
  3. 6-Nitro-1-((2-phenylimidazo[1,2-a]pyridin-3-yl)methyl)-1H-indazole
    CAS: 853701-35-6 PubChem CID: 4789254 Formula: C21H15N5O2 Molecular Weight: 369.38
    ● In Stock — US warehouse, ships to EU* Item #: W416946
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    Technical Identifiers
    IUPAC Name
    3-[(6-nitroindazol-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridine
    SMILES
    C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4
    InChIKey
    ZEUBOWIOSAAXBU-UHFFFAOYSA-N
    InChI
    1S/C21H15N5O2/c27-26(28)17-10-9-16-13-22-25(18(16)12-17)14-19-21(15-6-2-1-3-7-15)23-20-8-4-5-11-24(19)20/h1-13H,14H2
  4. Aminoethyl-SS-propionic acid
    CAS: 15579-00-7 PubChem CID: 5195062 Formula: C5H11NO2S2 Molecular Weight: 181.28
    ● In Stock — US warehouse, ships to EU* Item #: A596680
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    Technical Identifiers
    IUPAC Name
    3-(2-aminoethyldisulfanyl)propanoic acid
    SMILES
    C(CSSCCN)C(=O)O
    InChIKey
    HMMFDEBVQNRZLJ-UHFFFAOYSA-N
    InChI
    1S/C5H11NO2S2/c6-2-4-10-9-3-1-5(7)8/h1-4,6H2,(H,7,8)
    Synonyms
    3-[(2-Aminoethyl)dithio]propionic Acid|3-[2-(2-aminoethyl)disulfanyl]propanoic acid|3-(2-aminoethyldisulfanyl)propano...
  5. Azido-PEG1-Val-Cit-PAB-OH
    CAS: 2055041-40-0 PubChem CID: 119058240 Formula: C23H36N8O6 Molecular Weight: 520.6
    ◐ Made to order · 8–12 wks Item #: A596150
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    Technical Identifiers
    SMILES
    CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCN=[N+]=[N-]
  6. Azido-PEG4-Val-Cit-PAB-MMAE
    CAS: 1869126-64-6 PubChem CID: 162642418 Formula: C69H113N13O17 Molecular Weight: 1396.71
    ● In Stock — US warehouse, ships to EU* Item #: A597241
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    Technical Identifiers
    IUPAC Name
    [4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]show more
    SMILES
    CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)Nshow more
    InChIKey
    PDBSIBYOBPJSRL-SFLKBQQHSA-N
    InChI
    1S/C69H113N13O17/c1-15-46(8)60(54(93-13)41-56(84)82-32-20-24-53(82)62(94-14)47(9)63(86)74-48(10)61(85)50-21-17-16-18-22-50)80(11)67(90)58(44(4)5)78-66show more
  7. Azido-PEG4-Val-Cit-PAB-OH
    CAS: 2055024-64-9 PubChem CID: 119058238 Formula: C29H48N8O9 Molecular Weight: 652.8
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ● In Stock — US warehouse, ships to EU* Item #: A596152
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[[(2S)-2-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]show more
    SMILES
    CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]
    InChIKey
    AXRCLOURQJMPLC-AHWVRZQESA-N
    InChI
    1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-show more
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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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