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. Aureusidin
    CAS: 38216-54-5 PubChem CID: 5281220 Formula: C15H10O6 Molecular Weight: 286.24
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ Made to order · 8–12 wks Item #: A646213
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    Technical Identifiers
    IUPAC Name
    (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
    SMILES
    C1=CC(=C(C=C1C=C2C(=O)C3=C(C=C(C=C3O2)O)O)O)O
    InChIKey
    WBEFUVAYFSOUEA-PQMHYQBVSA-N
    InChI
    1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H/b13-4-
    Synonyms
    2-(3,4-Dihydroxybenzylidene)-4,6-dihydroxybenzofuran-3(2H)-one|(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydrox...
  2. CTX1
    CAS: 501935-96-2 EC Number: 110-728-1 PubChem CID: 435038 Formula: C14H10N4 Molecular Weight: 234.26
    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%
    ◐ Made to order · 8–12 wks Item #: C646180
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    Technical Identifiers
    IUPAC Name
    3,6-diaminoacridine-9-carbonitrile
    SMILES
    C1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2C#N)N
    InChIKey
    PUMGFEMNXBLDKD-UHFFFAOYSA-N
    InChI
    1S/C14H10N4/c15-7-12-10-3-1-8(16)5-13(10)18-14-6-9(17)2-4-11(12)14/h1-6H,16-17H2
    Synonyms
    3,6-Diaminoacridine-9-carbonitrile
  3. Dihydrocapsiate
    CAS: 205687-03-2 PubChem CID: 9873754 Formula: C18H28O4 Molecular Weight: 308.41
    ◐ Made to order · 8–12 wks Item #: D646179
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    IUPAC Name
    (4-hydroxy-3-methoxyphenyl)methyl 8-methylnonanoate
    SMILES
    CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC
    InChIKey
    RBCYRZPENADQGZ-UHFFFAOYSA-N
    InChI
    1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3
  4. Guangxitoxin 1E
    CAS: 1233152-82-3 PubChem CID: 121513878 Formula: C178H248N44O45S7 Molecular Weight: 3948.61
    ◐ Made to order · 8–12 wks Item #: G646249
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    Technical Identifiers
    IUPAC Name
    1-[2-[[1-[2-[[4-amino-4-oxo-2-[[13,42,57,89-tetrakis(4-aminobutyl)-75-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]show more
    SMILES
    CC1C(=O)NC2CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3CCCN3C(=O)C(NC(=O)C4CSSCC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)N1)CCCCN)CO)NC(=O)C(Nshow more
    InChIKey
    SZVUKNYCMKWHNH-UHFFFAOYSA-N
    InChI
    1S/C178H248N44O45S7/c1-95(2)70-118-159(247)214-131(165(253)208-124(77-139(184)226)163(251)209-125(73-99-34-11-8-12-35-99)175(263)219-65-28-49-137(219)show more
  5. Tyrosinase (206-214), human
    CAS: 166188-11-0 PubChem CID: 9941717 Formula: C61H83N15O10 Molecular Weight: 1186.41
    ◐ Made to order · 8–12 wks Item #: T646165
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolishow more
    SMILES
    CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC(C)C)NC(=O)C(CC6=CC=CC=C6)Nshow more
    InChIKey
    ZDTHINDBILABAB-WDGXTDPFSA-N
    InChI
    1S/C61H83N15O10/c1-35(2)26-45(54(79)75-50(60(85)86)29-39-18-10-7-11-19-39)71-53(78)44(22-14-24-66-61(63)64)69-57(82)48(31-41-33-65-34-68-41)72-56(81)4show more
  6. TBI-166
    CAS: 1353734-12-9 PubChem CID: 53377576 Formula: C32H30F3N5O3 Molecular Weight: 589.61
    ◐ Made to order · 8–12 wks Item #: T646201
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    Technical Identifiers
    SMILES
    COC1CCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)OC(F)(F)F)C=C2NC6=C(N=CC=C6)OC
  7. Curdlan
    CAS: 54724-00-4 Formula: (C6H10O5)n
    Solid ≥80% Derived from glucose fermentation
    ● In Stock — US warehouse, ships to EU* Item #: C646156
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    Technical Identifiers
    IUPAC Name
    (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
    SMILES
    C(C1C(C(C(C(O1)O)O)O)O)O
    InChIKey
    WQZGKKKJIJFFOK-VFUOTHLCSA-N
    InChI
    1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
    Synonyms
    glucoside|(1->3)-beta-D-glucan|.beta.-D-Glucose|b-d-glucose|beta-D-glucose|GLUCOSE, .BETA.-D|(1->3)-beta-D-glucopyran...
  8. RORγt Inverse agonist 6
    CAS: 1887161-80-9 Formula: C28H29ClN6O5 Molecular Weight: 565.02
    ◐ Made to order · 8–12 wks Item #: R646144
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    Technical Identifiers
    SMILES
    O=C([C@H]1CN(C(NC2=CC3=C(N(C(C)C)C(N(CC4CC4)C3=O)=O)C=C2)=O)CCO1)NC5=CC=C(C#N)C(Cl)=C5
  9. ADH-1
    CAS: 229971-81-7 Formula: C22H34N8O6S2 Molecular Weight: 570.69
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: A646143
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    Technical Identifiers
    IUPAC Name
    (4R,7S,10S,13S,16R)-16-acetamido-13-(1H-imidazol-5-ylmethyl)-10-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4show more
    SMILES
    CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C
    InChIKey
    FQVLRGLGWNWPSS-BXBUPLCLSA-N
    InChI
    1S/C22H34N8O6S2/c1-10(2)17-22(36)29-15(18(23)32)7-37-38-8-16(27-12(4)31)21(35)28-14(5-13-6-24-9-25-13)20(34)26-11(3)19(33)30-17/h6,9-11,14-17H,5,7-8H2show more
  10. C12-200
    CAS: 1220890-25-4 PubChem CID: 49785165 Formula: C70H145N5O5 Molecular Weight: 1136.93
    Liquid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C646162
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    Technical Identifiers
    IUPAC Name
    1-[2-[bis(2-hydroxydodecyl)amino]ethyl-[2-[4-[2-[bis(2-hydroxydodecyl)amino]ethyl]piperazin-1-yl]ethyl]amino]dodecan-2-ol
    SMILES
    CCCCCCCCCCC(CN(CCN1CCN(CC1)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)CCN(CC(CCCCCCCCCC)O)CC(CCCCCCCCCC)O)O
    InChIKey
    RVHYPUORVDKRTM-UHFFFAOYSA-N
    InChI
    1S/C70H145N5O5/c1-6-11-16-21-26-31-36-41-46-66(76)61-73(58-60-75(64-69(79)49-44-39-34-29-24-19-14-9-4)65-70(80)50-45-40-35-30-25-20-15-10-5)57-55-71-5show more
    Synonyms
    1,1'-((2-(4-(2-((2-(Bis(2-hydroxydodecyl)amino)ethyl)(2-hydroxydodecyl)amino)ethyl)piperazin-1-yl)ethyl)azanediyl)bis...
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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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