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. Acephate solution
    CAS: 30560-19-1 EC Number: 250-241-2 Formula: C4H10NO3PS Molecular Weight: 183.17
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. 100ug/ml in acetone
    ◐ .Made to order · 8–12 wks Item #: A109745
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    Acetamidophos | chevronorthene | s-dimethylester, Ortran | Orthene | acetylphosphoramidothioicacido
  2. Absinthin, Agonist of TAS2R30;Agonist of TAS2R46
    CAS: 1362-42-1 Formula: C30H40O6 Molecular Weight: 496.64
    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
    ◐ .Made to order · 8–12 wks Item #: A421378
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    IUPAC Name
    (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020show more
    SMILES
    CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O
    InChIKey
    PZHWYURJZAPXAN-ILOFNVQHSA-N
    InChI
    1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,2show more
    Synonyms
    Absinthin | (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-diox...
  3. Acalabrutinib (ACP-196), Tyrosine-protein kinase BTK inhibitor
    CAS: 1420477-60-6 EC Number: 814-272-0 Formula: C26H23N7O2 Molecular Weight: 465.51
    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 #: A408104
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    Benzamide, 4-​[8-​amino-​3-​[(2S)​-​1-​(1-​oxo-​2-​butyn-​1-​yl)​-​2-​pyrrolidinyl]​imidazo[1,​5-​a]​pyrazin-​1-​yl]​-�...
  4. Ac-DEVD-CHO,N-Acetyl-Asp-Glu-Val-Asp-al, Inhibitor of Caspase 3
    CAS: 169332-60-9 Formula: C20H30N4O11 Molecular Weight: 502.47
    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 Water
    ◐ .Made to order · 8–12 wks Item #: A422092
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    (4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoicshow more
    SMILES
    CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
    InChIKey
    UMBVAPCONCILTL-MRHIQRDNSA-N
    InChI
    1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(Hshow more
    Synonyms
    C20H30N4O11 | acetyl-Asp-Glu-Val-Asp aldehyde | N-acetyl-asp-glu-val-asp-al | s7901 | L-valinamide, N-acetyl-L-alpha-...
  5. Ac-FLTD-CMK
    CAS: 2376255-48-8 Formula: C26H37ClN4O8 Molecular Weight: 569.05
    ● In Stock — US warehouse, ships to EU* Item #: A414490
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    IUPAC Name
    (3S)-3-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-chloro-4-oxopentanoic acid
    SMILES
    CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)CCl)NC(=O)C(CC1=CC=CC=C1)NC(=O)C
    InChIKey
    UCWNTWGHVCSMJP-WPUDHWPRSA-N
    InChI
    1S/C26H37ClN4O8/c1-14(2)10-19(30-24(37)20(28-16(4)33)11-17-8-6-5-7-9-17)25(38)31-23(15(3)32)26(39)29-18(12-22(35)36)21(34)13-27/h5-9,14-15,18-20,23,32show more
    Synonyms
    N-acetyl-Phe-Leu-Thr-Asp-chloromethylketone
  6. Abrocitinib (PF-04965842), Inhibitor of Janus kinase 1;Inhibitor of Janus kinase 2
    CAS: 1622902-68-4 EC Number: 817-215-8 Formula: C14H21N5O2S Molecular Weight: 323.41
    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 #: A421972
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    N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
    SMILES
    CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3
    InChIKey
    IUEWXNHSKRWHDY-UHFFFAOYSA-N
    InChI
    1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)
    Synonyms
    Abrocitinib;N-[cis-3-(Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclobutyl]-1-propanesulfonamide | N-(3-(Methyl(7H-...
  7. Ac-Lys-D-Ala-D-Ala-OH
    CAS: 28845-97-8 PubChem CID: 3082292 Formula: C14H26N4O5 Molecular Weight: 330.38
    ● In Stock — US warehouse, ships to EU* Item #: A354204
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    IUPAC Name
    (2R)-2-[[(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]propanoic acid
    SMILES
    CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)NC(=O)C
    InChIKey
    GMSXMADYKTYBCP-KKZNHRDASA-N
    InChI
    1S/C14H26N4O5/c1-8(12(20)17-9(2)14(22)23)16-13(21)11(18-10(3)19)6-4-5-7-15/h8-9,11H,4-7,15H2,1-3H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,11+/m1/show more
    Synonyms
    DTXSID70951479 | N(2)-Acetyl-L-lysyl-D-alanyl-D-alanine | (R)-2-((R)-2-((S)-2-acetamido-6-aminohexanamido)propanamido...
  8. Acetaminophen Dimer
    CAS: 98966-14-4 Formula: C16H16N2O4 Molecular Weight: 300.31
    ● In Stock — US warehouse, ships to EU* Item #: A353915
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    N-[3-(5-acetamido-2-hydroxyphenyl)-4-hydroxyphenyl]acetamide
    SMILES
    CC(=O)NC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)NC(=O)C)O
    InChIKey
    PHJCCQZHFLRCAA-UHFFFAOYSA-N
    InChI
    1S/C16H16N2O4/c1-9(19)17-11-3-5-15(21)13(7-11)14-8-12(18-10(2)20)4-6-16(14)22/h3-8,21-22H,1-2H3,(H,17,19)(H,18,20)
    Synonyms
    N,N'-(6,6'-Dihydroxy(1,1'-biphenyl)-3,3'-diyl)bisacetamide | Acetamide, N,N'-(6,6'-dihydroxy[1,1'-biphenyl]-3,3'-diyl...
  9. Acetazolamide, Inhibitor of carbonic anhydrase 1;Inhibitor of carbonic anhydrase 12;Inhibitor of carbonic anhydrase 13;Inhibitor of carbonic anhydrase 14;Inhibitor of carbonic anhydrase 4;Inhibitor of carbonic anhydrase 7
    CAS: 59-66-5 EC Number: 200-440-5 Formula: C4H6N4O3S2 Molecular Weight: 222.25
    Liquid 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 #: A424967
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    IUPAC Name
    N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
    SMILES
    CC(=O)NC1=NN=C(S1)S(=O)(=O)N
    InChIKey
    BZKPWHYZMXOIDC-UHFFFAOYSA-N
    InChI
    1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
    Synonyms
    acetazolamide|59-66-5|Diamox|Acetamox|Nephramide|Glaupax|N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide|Acetazolamid|...
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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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