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. Lacto-N-neotetraose
    CAS: 13007-32-4 PubChem CID: 121853 Formula: C26H45NO21 Molecular Weight: 707.63
    ◐ Made to order · 8–12 wks Item #: L665776
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    SMILES
    CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([show more
  2. 3-Fucosyllactose
    CAS: 41312-47-4 PubChem CID: 16216990 Formula: C18H32O15 Molecular Weight: 488.44
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ Made to order · 8–12 wks Item #: F665778
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    IUPAC Name
    (2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-mshow more
    SMILES
    CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O
    InChIKey
    WJPIUUDKRHCAEL-YVEAQFMBSA-N
    InChI
    1S/C18H32O15/c1-4-7(21)9(23)11(25)17(29-4)33-15-13(27)16(28)30-6(3-20)14(15)32-18-12(26)10(24)8(22)5(2-19)31-18/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10show more
    Synonyms
    (2R,3R,4R,5R)-2,5,6-Trihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3...
  3. Brevetoxin 3
    CAS: 85079-48-7 PubChem CID: 5353448 Formula: C50H72O14 Molecular Weight: 897.10
    10µg/mL in Methanol
    ◐ Made to order · 8–12 wks Item #: B667828
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    Synonyms
    42-Deoxo-42-hydroxybrevetoxin B solution|PbTx-3
  4. (1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-, methyl ester, Bradykinin B1 receptor antagonist
    CAS: 578727-68-1 PubChem CID: 16102897 Formula: C22H19ClF4N2O4 Molecular Weight: 486.8
    ◐ Made to order · 8–12 wks Item #: B669205
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    IUPAC Name
    methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
    SMILES
    CC(C1=C(C=C(C=C1)C2=C(C(=CC=C2)Cl)C(=O)OC)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F
    InChIKey
    WZZIQHIQMWJNLU-LLVKDONJSA-N
    InChI
    1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31show more
    Synonyms
    MK-0686|MK0686|(1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopro...
  5. (1-Hydroxy-1-phosphonohexadecyl)phosphonic acid
    CAS: 2809-24-7 EC Number: 812-125-5 PubChem CID: 406406 Formula: C16H36O7P2 Molecular Weight: 402.4
    ◐ Made to order · 8–12 wks Item #: H668269
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    Technical Identifiers
    IUPAC Name
    (1-hydroxy-1-phosphonohexadecyl)phosphonic acid
    SMILES
    CCCCCCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
    InChIKey
    CRTLLTFVYOUDFN-UHFFFAOYSA-N
    InChI
    1S/C16H36O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17,24(18,19)20)25(21,22)23/h17H,2-15H2,1H3,(H2,18,19,20)(H2,21,22,23)
    Synonyms
    (1-hydroxy-1-phosphonohexadecyl)phosphonic acid|Phosphonic acid,P,P'-(1-hydroxyhexadecylidene)bis-|1-hydroxyhexadecan...
  6. (1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1,2-diol
    CAS: 125409-63-4 PubChem CID: 73651 Formula: C10H13N5O2 Molecular Weight: 235.24
    ◐ Made to order · 8–12 wks Item #: R667966
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    IUPAC Name
    (1R,2S,3R)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol
    SMILES
    C1CC(C(C1N2C=NC3=C(N=CN=C32)N)O)O
    InChIKey
    CZASVOKHBMDKGF-JKMUOGBPSA-N
    InChI
    1S/C10H13N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h3-6,8,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,8+/m1/s1
    Synonyms
    (1R,2S,3R)-3-(6-amino-9H-purin-9-yl)cyclopentane-1,2-diol|DHCaA|(1R,2S,3R)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol...
  7. (1-Amino-3-methylbutyl)phosphonic acid
    CAS: 20459-60-3 Formula: C5H14NO3P Molecular Weight: 167.14
    ◐ Made to order · 8–12 wks Item #: A668122
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    Technical Identifiers
    IUPAC Name
    (1-amino-3-methylbutyl)phosphonic acid
    SMILES
    CC(C)CC(N)P(=O)(O)O
    InChIKey
    HGCAUCAWEADMPM-UHFFFAOYSA-N
    InChI
    1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)
    Synonyms
    (1-amino-3-methylbutyl)phosphonic acid|1-Amino-3-methylbutylphosphonic acid|(1-AMINO-3-METHYLBUTYL)PHOSPHONICACID|Pho...
  8. (10-Methyl-9-anthryl)methyl imidothiocarbamate
    Formula: C17H16N2S Molecular Weight: 280.4
    ◐ Made to order · 8–12 wks Item #: M668276
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    Technical Identifiers
    IUPAC Name
    (10-methylanthracen-9-yl)methyl carbamimidothioate
    SMILES
    CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N
    InChIKey
    HXWYHTMSLSSLAO-UHFFFAOYSA-N
    InChI
    1S/C17H16N2S/c1-11-12-6-2-4-8-14(12)16(10-20-17(18)19)15-9-5-3-7-13(11)15/h2-9H,10H2,1H3,(H3,18,19)
    Synonyms
    (10-Methyl-9-anthryl)methyl imidothiocarbamate|NSC146109|NSC 146109|2-[(10-methyl-9-anthryl)methyl]isothiourea|Pseudo...
  9. (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
    Formula: C21H20O6 Molecular Weight: 368.4
    ◐ Made to order · 8–12 wks Item #: E668899
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    Technical Identifiers
    IUPAC Name
    (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one
    SMILES
    COC1=C(C=CC(=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)O)OC)O)O
    InChIKey
    ZIUSSTSXXLLKKK-KOBPDPAPSA-N
    InChI
    1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
    Synonyms
    (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one|(1z,4z,6e)-5-Hydroxy-1,7-Bis(4-Hydroxy...
  10. (1,4-Phenylene)bis(methylene) dicarbamimidothioate
    Formula: C10H14N4S2 Molecular Weight: 254.4
    ◐ Made to order · 8–12 wks Item #: P667985
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    Technical Identifiers
    IUPAC Name
    [4-(carbamimidoylsulfanylmethyl)phenyl]methyl carbamimidothioate
    SMILES
    C1=CC(=CC=C1CSC(=N)N)CSC(=N)N
    InChIKey
    PWMGHDCLHPWGBX-UHFFFAOYSA-N
    InChI
    1S/C10H14N4S2/c11-9(12)15-5-7-1-2-8(4-3-7)6-16-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
    Synonyms
    (1,4-phenylene)bis(methylene) dicarbamimidothioate|2-(4-Carbamimidoylsulfanylmethyl-benzyl)-isothiourea|ZSM
  11. (1-Amino-2-phenylethyl)phosphonic acid
    CAS: 6324-00-1 EC Number: 885-862-3 Formula: C8H12NO3P Molecular Weight: 201.16
    ◐ Made to order · 8–12 wks Item #: A668005
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    Technical Identifiers
    IUPAC Name
    (1-amino-2-phenylethyl)phosphonic acid
    SMILES
    C1=CC=C(C=C1)CC(N)P(=O)(O)O
    InChIKey
    FQCNOURLMNHAQN-UHFFFAOYSA-N
    InChI
    1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)
    Synonyms
    (1-Amino-2-phenylethyl)phosphonic acid|1-Amino-2-phenylethylphosphonic acid|alpha-Amino-beta-phenylethylphosphonic ac...
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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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