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 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 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. Obestatin human(trifluoroacetate salt)
    CAS: 1081110-72-6 PubChem CID: 146156385 Formula: C116H176N32O33(free basis) Molecular Weight: 2546.86(free basis)
    ● In Stock — US Item #: O287703
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    Technical Identifiers
    IUPAC Name
    4-[[1-[[2-[[1-[[6-amino-1-[[1-[[1-[[2-[[1-[[5-amino-1-[[1-[[5-amino-1-[[5-amino-1-[[1-[[1-[[5-amino-1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1show more
    SMILES
    CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)Nshow more
    InChIKey
    IXQOGPZNKNSCJR-UHFFFAOYSA-N
    InChI
    1S/C116H176N32O33/c1-13-61(10)95(146-91(158)53-127-113(178)93(59(6)7)147-110(175)81(50-92(159)160)141-108(173)78(46-65-25-18-15-19-26-65)142-112(177)8show more
  2. 1β-Hydroxy vitamin D2
    CAS: 127516-23-8 PubChem CID: 21767860 Formula: C28H44O2 Molecular Weight: 412.65
    ◐ .Made to order · 8–12 wks Item #: H358591
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    IUPAC Name
    (1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidshow more
    SMILES
    CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    HKXBNHCUPKIYDM-BLKIPSJVSA-N
    InChI
    1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/show more
    Synonyms
    (1R,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3-diol | AKOS040744265 | Impurity of Doxercalciferol | HY-769...
  3. BA 1 TFA
    CAS: 183241-31-8 Formula: C57H76N14O11.xTFA Molecular Weight: 1247.32(free basis)
    ● In Stock — US Item #: B287408
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    IUPAC Name
    (2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]show more
    SMILES
    CCCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CN=CN2)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=C(C=show more
    InChIKey
    BXSSCSKCOFKPOK-ZWAOGYCRSA-N
    InChI
    1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(show more
  4. (±)-5'-Chloro-5'-deoxy-ENBA
    CAS: 103626-26-2 Formula: C17H22ClN5O3 Molecular Weight: 379.84
    ◐ .Made to order · 8–12 wks Item #: C288396
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    IUPAC Name
    (2R,3R,4S,5S)-2-[6-(2-bicyclo[2.2.1]heptanylamino)purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol
    SMILES
    C1CC2CC1CC2NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CCl)O)O
    InChIKey
    PVJGDYDNVNCGBT-STHLEMNDSA-N
    InChI
    1S/C17H22ClN5O3/c18-5-11-13(24)14(25)17(26-11)23-7-21-12-15(19-6-20-16(12)23)22-10-4-8-1-2-9(10)3-8/h6-11,13-14,17,24-25H,1-5H2,(H,19,20,22)/t8?,9?,10show more
    Synonyms
    J-001012 | N-Bicyclo[2.2.1]hept-2-yl-5/'-chloro-5/'-deoxyadenosine | HMS3414A05 | (2R,3R,4S,5S)-2-(6-(Bicyclo[2.2.1]h...
  5. Neuropeptide S (Mouse)
    CAS: 412938-74-0 PubChem CID: 54581309 Formula: C93H156N34O27 Molecular Weight: 2182.47
    ◐ .Made to order · 8–12 wks Item #: N286857
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    IUPAC Name
    (2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[show more
    SMILES
    CC(C)C(C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=show more
    InChIKey
    XBNIXBCJICZFRR-GYDKITGDSA-N
    InChI
    1S/C93H156N34O27/c1-48(2)72(126-71(136)44-109-77(140)64(41-68(99)133)124-83(146)60(30-20-38-108-93(104)105)120-85(148)62(122-76(139)54(97)45-128)39-52show more
  6. CORM-3
    CAS: 475473-26-8 Formula: C5H4ClNO5Ru Molecular Weight: 294.61
    ● In Stock — US Item #: C299628
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    Synonyms
    CORM 3 | Carbon monoxide releasing molecule 3 | Tricarbonylchloro(glycinato)ruthenium
  7. O,O′,O′′-Triethyl Phosphorothioate
    CAS: 126-68-1 Formula: C6H15O3PS Molecular Weight: 198.22
    ● In Stock — US Item #: O356871
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    Technical Identifiers
    IUPAC Name
    triethoxy(sulfanylidene)-λ5-phosphane
    SMILES
    CCOP(=S)(OCC)OCC
    InChIKey
    QTPJMTACJMLPLL-UHFFFAOYSA-N
    InChI
    1S/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3
    Synonyms
    O,o,o-triethylphosphorothioate | Triethylphosphorothioate | Triethyl phosphorothionate | AKOS003599958 | FT-0631735 |...
  8. betamethasone 21-phosphate sodium, Glucocorticoid receptor agonist
    CAS: 151-73-5 EC Number: 205-797-0 Formula: C22H28FNa2O8P Molecular Weight: 516.4
    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%
    ● In Stock — US Item #: B132147
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    IUPAC Name
    disodium;[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-show more
    SMILES
    CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
    InChIKey
    PLCQGRYPOISRTQ-LWCNAHDDSA-L
    InChI
    1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,1show more
    Synonyms
    BETAMETHASONE SODIUM PHOSPHATE [USP-RS] | BETAMETHASONE SODIUM PHOSPHATE COMPONENT OF CELESTONE SOLUSPAN | Pregna-1,4...
  9. 2-Amino-6-bromonaphthalene
    CAS: 7499-66-3 EC Number: 640-718-7 Formula: C10H8BrN Molecular Weight: 222.1
    ● In Stock — US Item #: A186412
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    Technical Identifiers
    IUPAC Name
    6-bromonaphthalen-2-amine
    SMILES
    C1=CC2=C(C=CC(=C2)Br)C=C1N
    InChIKey
    UBLKHAWYJFEPDX-UHFFFAOYSA-N
    InChI
    1S/C10H8BrN/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6H,12H2
    Synonyms
    6-bromo-2-aminonaphthalene | NSC407685 | NSC-407685 | 6-bromonaphthalen-2-amine? | PS-7840 | 6-amino-2-bromo-naphthal...
  10. OXA (17-33)
    CAS: 343268-91-7 Formula: C79H125N23O22 Molecular Weight: 1749
    ◐ .Made to order · 8–12 wks Item #: O287975
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    Technical Identifiers
    IUPAC Name
    (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-amino-4-mshow more
    SMILES
    CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C)NC(=O)CNC(=Oshow more
    InChIKey
    JPRBZUXULYLVPJ-HYNYKCRDSA-N
    InChI
    1S/C79H125N23O22/c1-15-41(10)64(78(123)100-55(25-40(8)9)77(122)102-65(45(14)103)79(124)95-52(66(82)111)22-37(2)3)101-62(108)34-86-68(113)43(12)91-69(1show more
  11. Oleoyl-L-carnitine
    CAS: 38677-66-6 Formula: C25H47NO4 Molecular Weight: 425.64
    ● In Stock — US Item #: O356665
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    IUPAC Name
    (3R)-3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
    InChIKey
    IPOLTUVFXFHAHI-WHIOSMTNSA-N
    InChI
    1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-/t23-/m1/s1
    Synonyms
    Oleoyllevocarnitine | Oleoylcarnitine | 9-Octadecenoyl carnitine
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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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