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. Ac-WLA-AMC
    CAS: 1104011-59-7 Formula: C32H37N5O6 Molecular Weight: 587.67
    ◐ Made to order · 8–12 wks Item #: A651030
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    SMILES
    C[C@@H](C(NC1=CC=C(C(O2)=C1)C(C)=CC2=O)=O)NC([C@H](CC(C)C)NC([C@H](CC3=CNC4=CC=CC=C34)NC(C)=O)=O)=O
  2. Ceritinib-d7
    CAS: 1632484-77-5 Formula: C28H29D7ClN5O3S Molecular Weight: 565.18
    ◐ Made to order · 8–12 wks Item #: C650929
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    IUPAC Name
    5-chloro-2-N-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-5-methyl-4-piperidin-4-ylphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
    SMILES
    CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
    InChIKey
    VERWOWGGCGHDQE-WFBMWZOZSA-N
    InChI
    1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,3show more
  3. Isoescin IA
    CAS: 219944-39-5 PubChem CID: 6476032 Formula: C55H86O24 Molecular Weight: 1131.26
    ◐ Made to order · 8–12 wks Item #: I650936
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    IUPAC Name
    (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8a-(acetyloxymethyl)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyshow more
    SMILES
    CC=C(C)C(=O)OC1C(C2(C(CC1(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)COC(=O)Cshow more
    InChIKey
    YOSIWGSGLDDTHJ-IVKVKCDBSA-N
    InChI
    1S/C55H86O24/c1-10-23(2)46(71)79-44-43(68)55(22-72-24(3)59)26(17-50(44,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)6show more
    Synonyms
    Aescin C|Isoescin ia (constituent of horse chestnut)|(3beta,4beta,16alpha,21beta,22alpha)-28-(Acetyloxy)-16,22,23-tri...
  4. Etrinabdione
    CAS: 1818428-24-8 PubChem CID: 118465221 Formula: C28H35NO3 Molecular Weight: 433.58
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E650944
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    IUPAC Name
    5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione
    SMILES
    CCCCCC1=C(C(=C(C(=O)C1=O)C2C=C(CCC2C(=C)C)C)O)NCC3=CC=CC=C3
    InChIKey
    CGGGAXJIRQSRPH-JTHBVZDNSA-N
    InChI
    1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,31H,2,5-6,8,13-15,17show more
    Synonyms
    Etrinabdione|(1'R,6'R)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-2',3,6...
  5. Gartanin
    CAS: 33390-42-0 PubChem CID: 5281633 Formula: C23H24O6 Molecular Weight: 396.44
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: G651116
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    IUPAC Name
    1,3,5,8-tetrahydroxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
    SMILES
    CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)CC=C(C)C)O)C
    InChIKey
    OJXQLGQIDIPMTE-UHFFFAOYSA-N
    InChI
    1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
    Synonyms
    1,3,5,8-Tetrahydroxy-2,4-diprenylxanthone|9H-Xanthen-9-one, 1,3,5,8-tetrahydroxy-2,4-bis(3-methyl-2-butenyl)-|MK212HY...
  6. PDGFRα kinase inhibitor 1
    CAS: 2209053-93-8 PubChem CID: 129318936 Formula: C34H34N8O2 Molecular Weight: 586.69
    ● In Stock — US warehouse, ships to EU* Item #: P651128
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    IUPAC Name
    N-[2-(dimethylamino)ethyl]-N-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]pyridine-3-carboxamide
    SMILES
    CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(CCN(C)C)C(=O)C3=CN=CC=C3)NC4=NC=CC(=N4)C5=CN=CC=C5
    InChIKey
    NWVOHJOHQOHBMB-UHFFFAOYSA-N
    InChI
    1S/C34H34N8O2/c1-24-8-13-29(20-31(24)40-34-37-17-14-30(39-34)27-6-4-15-35-21-27)38-32(43)26-11-9-25(10-12-26)23-42(19-18-41(2)3)33(44)28-7-5-16-36-22-show more
  7. Ophiopogonin D'
    CAS: 65604-80-0 PubChem CID: 10033524 Formula: C44H70O16 Molecular Weight: 855.02
    ◐ Made to order · 8–12 wks Item #: O651126
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    IUPAC Name
    (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[show more
    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
    InChIKey
    DQYACEDUQHWXQZ-QOYNBSPSSA-N
    InChI
    1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-36(52)34(50)31(47)21(3)5show more
    Synonyms
    Ophiopogonin D'|OphiopogoninD'
  8. Levamlodipine besylate
    CAS: 150566-71-5 Formula: C26H31ClN2O8S Molecular Weight: 567.05
    ● In Stock — US warehouse, ships to EU* Item #: L651110
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    IUPAC Name
    benzenesulfonic acid;3-O-ethyl 5-O-methyl (4S)-2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES
    CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    ZPBWCRDSRKPIDG-LMOVPXPDSA-N
    InChI
    1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22show more
    Synonyms
    Levamlodipine Besylate|(-)-Amlodipine besylate|(S)-Amlodipine besylate|Levamlodipine besilate [WHO-DD]|Levoamlodipine...
  9. Licoflavone A
    CAS: 61153-77-3 PubChem CID: 5319000 Formula: C20H18O4 Molecular Weight: 322.35
    ◐ Made to order · 8–12 wks Item #: L650947
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    IUPAC Name
    7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
    SMILES
    CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)C
    InChIKey
    HJGURBGBPIKRER-UHFFFAOYSA-N
    InChI
    1S/C20H18O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-11,21-22H,4H2,1-2H3
    Synonyms
    LICOFLAVANONE A|7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one|Licoflavone A|4H-1-Benzopyran-4-one...
  10. Taraxerol
    CAS: 127-22-0 PubChem CID: 92097 Formula: C30H50O Molecular Weight: 426.72
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ Made to order · 8–12 wks Item #: T651169
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    IUPAC Name
    (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
    SMILES
    CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C
    InChIKey
    GGGUGZHBAOMSFJ-GADYQYKKSA-N
    InChI
    1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,show more
    Synonyms
    alnulin|TARAXEROL [MI]|27-Norolean-14-en-3-ol, 13-methyl-, (3beta,13alpha)-|skimmiol|ISOOLEAN-14-EN-3beta-OL|ISOOLEAN...
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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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