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. Prostaglandin E2-d4
    CAS: 34210-10-1 Formula: C20H28D4O5 Molecular Weight: 356.49
    ◐ .Made to order · 8–12 wks Item #: P342610
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    Technical Identifiers
    IUPAC Name
    (Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
    SMILES
    CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey
    XEYBRNLFEZDVAW-YOLMOHOWSA-N
    InChI
    1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-show more
    Synonyms
    11R,15S-dihydroxy-9-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4) | prostaglandin E2-3,3,4,4-d4 | (Z)-3,3,4,4-tetradeute...
  2. Protirelin Acetate
    CAS: 120876-23-5 PubChem CID: 138376494 Formula: C38H56N12O14 Molecular Weight: 904.92
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: P420915
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    IUPAC Name
    acetic acid;N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
    SMILES
    CC(=O)O.CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N.C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
    InChIKey
    FCUSEANSBYKTPA-UHFFFAOYSA-N
    InChI
    1S/2C16H22N6O4.3C2H4O2/c2*17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10;3*1-2(3)4/h2*7-8,10-12H,1-6H2,(H2,17,24)(H,18,1show more
    Synonyms
    Thyrotropin-releasing-hormone acetate, TRH acetate, Thyroliberin acetate
  3. Protein kinase inhibitor 1 hydrochloride
    CAS: 2321337-71-5 Formula: C18H18ClN5O3S Molecular Weight: 419.89
    ● In Stock — US warehouse, ships to EU* Item #: P412118
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    SMILES
    O=C(NC/1=O)SC1=C\\C2=CNC(C(C3=CC=C(N4CCNCC4)N=C3)=C2)=O.[H]Cl
    Synonyms
    5-[[1,2-dihydro-2-oxo-6'-(1-piperazinyl)[3,3'-bipyridin]-5-yl]methylene]-2,4-thiazolidinedione hydrochloride
  4. Pseudoprotodioscin
    CAS: 102115-79-7 EC Number: 600-274-7 PubChem CID: 51346147 Formula: C51H82O21 Molecular Weight: 1031.18
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P420371
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    Technical Identifiers
    IUPAC Name
    (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(1S,2S,4S,8S,9S,12S,13show more
    SMILES
    CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CC8C7C(=C(O8)CCC(C)COC9C(C(C(C(O9)CO)O)O)O)C)C)C)CO)O)O)O
    InChIKey
    MDCUMTGKKLOMCW-MQDUZHDNSA-N
    InChI
    1S/C51H82O21/c1-20(19-64-46-40(60)39(59)36(56)31(17-52)69-46)7-10-29-21(2)33-30(68-29)16-28-26-9-8-24-15-25(11-13-50(24,5)27(26)12-14-51(28,33)6)67-49show more
    Synonyms
    Pseudoprotodioscin|102115-79-7|beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)furosta-5,20(22)-dien...
  5. Psoralen
    CAS: 66-97-7 EC Number: 200-639-7 Formula: C11H6NO3 Molecular Weight: 186.16
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P425374
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    Technical Identifiers
    IUPAC Name
    furo[3,2-g]chromen-7-one
    SMILES
    C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
    InChIKey
    ZCCUUQDIBDJBTK-UHFFFAOYSA-N
    InChI
    1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
    Synonyms
    7H-Furo(3,2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta...
  6. Psoralen
    CAS: 66-97-7 EC Number: 200-639-7 Formula: C11H6NO3 Molecular Weight: 186.16
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: P101248
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    IUPAC Name
    furo[3,2-g]chromen-7-one
    SMILES
    C1=CC(=O)OC2=CC3=C(C=CO3)C=C21
    InChIKey
    ZCCUUQDIBDJBTK-UHFFFAOYSA-N
    InChI
    1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
    Synonyms
    7H-Furo(3,2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta...
  7. Protirelin Acetate
    CAS: 120876-23-5 PubChem CID: 138376494 Formula: C38H56N12O14 Molecular Weight: 904.92
    ● In Stock — US warehouse, ships to EU* Item #: P414636
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    Technical Identifiers
    IUPAC Name
    acetic acid;N-[1-(2-carbamoylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
    SMILES
    CC(=O)O.CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N.C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N
    InChIKey
    FCUSEANSBYKTPA-UHFFFAOYSA-N
    InChI
    1S/2C16H22N6O4.3C2H4O2/c2*17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10;3*1-2(3)4/h2*7-8,10-12H,1-6H2,(H2,17,24)(H,18,1show more
    Synonyms
    Thyrotropin-releasing-hormone acetate, TRH acetate, Thyroliberin acetate
  8. Protocatechuic acid
    CAS: 99-50-3 EC Number: 202-760-0 Formula: C7H6O4 Molecular Weight: 154.12
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: P427224
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    Technical Identifiers
    IUPAC Name
    3,4-dihydroxybenzoic acid
    SMILES
    C1=CC(=C(C=C1C(=O)O)O)O
    InChIKey
    YQUVCSBJEUQKSH-UHFFFAOYSA-N
    InChI
    1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
    Synonyms
    AC-9617 | Carbohydroquinonic acid | DIHYDROXYBENZOIC ACID, 3,4- | Protocatechuic acid, primary pharmaceutical referen...
  9. Psoralenoside
    CAS: 905954-17-8 PubChem CID: 11508879 Formula: C17H18O9 Molecular Weight: 366.32
    ● In Stock — US warehouse, ships to EU* Item #: P412654
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    Technical Identifiers
    IUPAC Name
    (Z)-3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid
    SMILES
    C1=COC2=CC(=C(C=C21)C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O
    InChIKey
    XRLPSAYLYDMYGX-UETKAVOHSA-N
    InChI
    1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,1show more
  10. Pteryxin
    CAS: 13161-75-6 PubChem CID: 5281425 Formula: C21H22O7 Molecular Weight: 386.4
    ● In Stock — US warehouse, ships to EU* Item #: P412629
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    IUPAC Name
    [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
    SMILES
    CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C
    InChIKey
    LYUZYPKZQDYMEE-YRCPKEQFSA-N
    InChI
    1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
    Synonyms
    (+)-(3'R,4'R)-3'-ACETYL-4'-ANGELOYLKHELLACTONE | 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-...
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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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