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. RAGE antagonist peptide TFA
    CAS: 1092460-91-7(free base) PubChem CID: 127021052 Formula: C57H101N13O17S(free base) Molecular Weight: 1272.56(free base)
    ● In Stock — US warehouse, ships to EU* Item #: R288600
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    Technical Identifiers
    IUPAC Name
    (4S)-4-acetamido-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amshow more
    SMILES
    CC(C)CC(C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)Oshow more
    InChIKey
    UPCWJIBXKJZZLN-RBQIHDOFSA-N
    InChI
    1S/C57H101N13O17S/c1-30(2)27-41(48(60)78)67-52(82)39(19-22-46(76)77)64-49(79)35(15-11-13-24-58)62-51(81)38(18-21-45(74)75)65-53(83)40(23-26-88-10)66-5show more
  2. RFRP 3 (human) TFA
    CAS: 311309-27-0(free) Formula: C45H72N14O10·C2HF3O2 Molecular Weight: 1083.15
    ● In Stock — US warehouse, ships to EU* Item #: R409332
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    Synonyms
    Neuropeptide VF(124-131)(human) TFA | RFRP-3 human trifluoroacetate salt | Neuropeptide VF (124-131), NPVF, RFamide-r...
  3. Secretin (rat), AGONIST of Secretin receptor agonist
    CAS: 121028-49-7 PubChem CID: 90488725 Formula: C129H216N42O42 Molecular Weight: 3027.38
    ◐ .Made to order · 8–12 wks Item #: S288051
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    IUPAC Name
    (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[show more
    SMILES
    CC(C)CC(C(=O)NC(C(C)C)C(=O)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=Nshow more
    InChIKey
    LKHWQEXKRMDFFJ-NEMWHCQRSA-N
    InChI
    1S/C129H216N42O42/c1-58(2)40-78(119(206)170-99(64(13)14)102(134)189)149-94(181)51-145-105(192)74(29-33-91(131)178)153-113(200)81(43-61(7)8)161-116(203show more
  4. RR-SRC, Protein Tyrosine Kinase Substrate
    CAS: 81156-93-6 PubChem CID: 25078115 Formula: C64H106N22O21 Molecular Weight: 1519.7
    ◐ .Made to order · 8–12 wks Item #: R332883
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    IUPAC Name
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)show more
    SMILES
    CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)NC(=Oshow more
    InChIKey
    KEOPTZKJOKJEIM-VDNREOAASA-N
    InChI
    1S/C64H106N22O21/c1-8-31(4)49(86-60(106)42(26-30(2)3)83-55(101)39(14-11-25-74-64(70)71)81-53(99)37(65)12-9-23-72-62(66)67)61(107)82-41(20-22-46(90)91)show more
    Synonyms
    Glycine, L-arginyl-L-arginyl-L-leucyl-L-isoleucyl-L-alpha-glutamyl-L-alpha-aspartyl-L-alanyl-L-alpha-glutamyl-L-tyros...
  5. STAD 2
    CAS: 1542100-77-5 PubChem CID: 146018942 Formula: C102H182N24O22 Molecular Weight: 2096.68
    ◐ .Made to order · 8–12 wks Item #: S286794
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    Technical Identifiers
    IUPAC Name
    (2S,5S,8S,11S,15E,20S)-20-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[2-[2-(2-aminoeshow more
    SMILES
    CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC=CCCCC(C(=O)N1)(C)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)Nshow more
    InChIKey
    FREADERNJMYCAI-LLUHBCIQSA-N
    InChI
    1S/C102H182N24O22/c1-62(2)55-76(120-90(135)74(40-26-33-47-106)116-88(133)72(38-24-31-45-104)113-82(128)61-148-54-53-147-52-51-146-50-49-108)91(136)110show more
  6. ShK-Dap22
    CAS: 220384-25-8 PubChem CID: 90488816 Formula: C₁₆₆H₂₆₈N₅₄O₄₈S₇ Molecular Weight: 4012.7
    ◐ .Made to order · 8–12 wks Item #: S288250
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    Technical Identifiers
    IUPAC Name
    10,51,87-tris(4-aminobutyl)-31-[[2-[(2-amino-5-carbamimidamidopentanoyl)amino]-3-hydroxypropanoyl]amino]-75-(aminomethyl)-93-(3-amino-3-oxopropyl)-60,show more
    SMILES
    CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC3CSSCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)Nshow more
    InChIKey
    PFWOJTLVNOZSGQ-UHFFFAOYSA-N
    InChI
    1S/C166H268N54O48S7/c1-13-81(5)123-156(261)202-107(65-122(232)233)145(250)218-128(87(11)228)160(265)216-124(82(6)14-2)161(266)220-58-31-43-119(220)155show more
    Synonyms
    ShK-Dap22 | (DAP22)-SHK | AKOS024457486 | PD079453
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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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