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).

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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

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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. Everolimus (RAD001), FK506-binding protein 1A inhibitor
    CAS: 159351-69-6 EC Number: 621-003-9 Formula: C53H83NO14 Molecular Weight: 958.25
    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 #: E409231
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    Synonyms
    SDZ-RAD
  2. Exemestane (FCE 24304), Cytochrome P450 19A1 inhibitor
    CAS: 107868-30-4 EC Number: 643-090-2 Formula: C20H24O2 Molecular Weight: 296.403
    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 #: E409085
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    Synonyms
    PNU155971 | 6-​methylene-androsta-​1,​4-​diene-​3,​17-​dione
  3. Ezatiostat
    CAS: 168682-53-9 Formula: C27H35N3O6S Molecular Weight: 529.65
    ● In Stock — US warehouse, ships to EU* Item #: E414463
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    IUPAC Name
    ethyl (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
    SMILES
    CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N
    InChIKey
    GWEJFLVSOGNLSS-WPFOTENUSA-N
    InChI
    1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,show more
    Synonyms
    Q27095680 | NCGC00263221-01 | NCGC00263221-05 | TER 199 | Ezatiostat | Ezatiostat [INN] | Ezatiostat(TER199; TLK199) ...
  4. Ezatiostat
    CAS: 168682-53-9 Formula: C27H35N3O6S Molecular Weight: 529.65
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422087
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    IUPAC Name
    ethyl (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
    SMILES
    CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N
    InChIKey
    GWEJFLVSOGNLSS-WPFOTENUSA-N
    InChI
    1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,show more
    Synonyms
    Q27095680 | NCGC00263221-01 | NCGC00263221-05 | TER 199 | Ezatiostat | Ezatiostat [INN] | Ezatiostat(TER199; TLK199) ...
  5. Ezetimibe (SCH-58235), Niemann-Pick C1-like protein 1 inhibitor
    CAS: 163222-33-1 EC Number: 682-606-0 Formula: C24H21F2NO3 Molecular Weight: 409.43
    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 #: E408174
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    (3R,​4S)​-1-​(4-​fluorophenyl)​-​3-​[(3S)​-​3-​(4-​fluorophenyl)​-​3-​hydroxypropyl]​-​4-​(4-​hydroxyphenyl)​-​2-​aze...
  6. F-1
    CAS: 2244775-31-1 Formula: C22H27ClN8O3S Molecular Weight: 519.02
    ● In Stock — US warehouse, ships to EU* Item #: F412387
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    IUPAC Name
    N-[2-[[5-chloro-2-[[2-methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
    SMILES
    CN1CCN(CC1)C2=NC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC
    InChIKey
    KVGQFDSHCXICPE-UHFFFAOYSA-N
    InChI
    1S/C22H27ClN8O3S/c1-30-10-12-31(13-11-30)19-9-8-18(21(27-19)34-2)26-22-24-14-15(23)20(28-22)25-16-6-4-5-7-17(16)29-35(3,32)33/h4-9,14,29H,10-13H2,1-3Hshow more
  7. F1063-0967
    CAS: 613225-56-2 Formula: C24H24N2O5S2 Molecular Weight: 484.59
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F425080
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    IUPAC Name
    2-hydroxy-4-[6-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoylamino]benzoic acid
    SMILES
    CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCCCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
    InChIKey
    RNICWTYEMLCCAS-MOSHPQCFSA-N
    InChI
    1S/C24H24N2O5S2/c1-15-6-8-16(9-7-15)13-20-22(29)26(24(32)33-20)12-4-2-3-5-21(28)25-17-10-11-18(23(30)31)19(27)14-17/h6-11,13-14,27H,2-5,12H2,1H3,(H,25show more
    Synonyms
    Benzoic acid,2-​hydroxy-​4-​[[6-​[5-​[(4-​methylphenyl)​methylene]​-​4-​oxo-​2-​thioxo-​3-​thiazolidinyl]​-​1-​oxohex...
  8. FFN102 (Mini 102)
    CAS: 1234064-11-9 Formula: C13H11ClF3NO5 Molecular Weight: 353.68
    ◐ .Made to order · 8–12 wks Item #: F275469
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    IUPAC Name
    4-(2-aminoethyl)-6-chloro-7-hydroxychromen-2-one;2,2,2-trifluoroacetic acid
    SMILES
    C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CCN.C(=O)(C(F)(F)F)O
    InChIKey
    OGHPXKAKVMJGQH-UHFFFAOYSA-N
    InChI
    1S/C11H10ClNO3.C2HF3O2/c12-8-4-7-6(1-2-13)3-11(15)16-10(7)5-9(8)14;3-2(4,5)1(6)7/h3-5,14H,1-2,13H2;(H,6,7)
    Synonyms
    4-(2-Aminoethyl)-6-chloro-7-hydroxy-2H-1-benzopyran-2-one2,2,2-trifluoroacetate
  9. FFN202 (Mini 202)
    CAS: 1234064-29-9 Formula: C11H10ClNO3.CF3CO2H Molecular Weight: 353.68
    ● In Stock — US warehouse, ships to EU* Item #: F274685
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    Synonyms
    3-(2-Aminoethyl)-6-chloro-7-hydroxy-2H-1-benzopyran-2-one2,2,2-trifluoroacetate
  10. FG-2216
    CAS: 223387-75-5 Formula: C12H9ClN2O4 Molecular Weight: 280.66
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: F422685
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    IUPAC Name
    2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
    SMILES
    C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O
    InChIKey
    OUQVKRKGTAUJQA-UHFFFAOYSA-N
    InChI
    1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
    Synonyms
    (((1-Chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid | 1-Chloro-N- (hydroxyformylmethyl-4-hydroxyisoquino...
  11. FG-2216
    CAS: 223387-75-5 EC Number: 803-250-6 Formula: C12H9ClN2O4 Molecular Weight: 280.66
    Solid ≥96%
    ● In Stock — US warehouse, ships to EU* Item #: F413897
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    Technical Identifiers
    IUPAC Name
    2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
    SMILES
    C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)NCC(=O)O)O
    InChIKey
    OUQVKRKGTAUJQA-UHFFFAOYSA-N
    InChI
    1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
    Synonyms
    (((1-Chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid | 1-Chloro-N- (hydroxyformylmethyl-4-hydroxyisoquino...
  12. Exendin Fragment 9-39, Antagonist of GLP-1 receptor
    CAS: 133514-43-9 PubChem CID: 16198321 Formula: C149H234N40O47S Molecular Weight: 3369.76
    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 #: E421270
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    Technical Identifiers
    IUPAC Name
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]aminoshow more
    SMILES
    CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CO)C(=O)show more
    InChIKey
    WSEVKKHALHSUMB-MVNVRWBSSA-N
    InChI
    1S/C149H234N40O47S/c1-14-78(10)120(185-139(227)98(62-81-29-16-15-17-30-81)177-136(224)97(61-76(6)7)175-129(217)88(35-24-53-158-149(156)157)172-144(232show more
    Synonyms
    Exendin-3 (9-39) | DTXSID00158156 | p | EX-A7432 | Exendin (9-39) | Exendin-3 (9-39) amide | Asp-LEU-SER-LYS-GLN-MET-...
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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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