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. Andarine, Agonist of Androgen receptor
    CAS: 401900-40-1 EC Number: 803-892-7 Formula: C19H18F3N3O6 Molecular Weight: 441.36
    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 #: A407814
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    Synonyms
    GTx-007, S-4 | (S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
  2. Angiotensin II human Acetate
    CAS: 68521-88-0 PubChem CID: 172197 Formula: C50H71N13O12(free base) Molecular Weight: 1046.18(free base)
    ● In Stock — US Item #: A420049
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    IUPAC Name
    acetic acid;(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imishow more
    SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O
    InChIKey
    VBTZKFAHKJXHBA-PIONDTTLSA-N
    InChI
    1S/C50H71N13O12.C2H4O2/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-show more
    Synonyms
    Angiotensin II acetate [USAN] | ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE ACETATE SALT | Angiotensin II human acetate | Human a...
  3. Anagliptin, Inhibitor of dipeptidyl peptidase 4
    CAS: 739366-20-2 Formula: C19H25N7O2 Molecular Weight: 383.45
    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 Item #: A425761
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    IUPAC Name
    N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
    SMILES
    CC1=NN2C=C(C=NC2=C1)C(=O)NCC(C)(C)NCC(=O)N3CCCC3C#N
    InChIKey
    LDXYBEHACFJIEL-HNNXBMFYSA-N
    InChI
    1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/show more
    Synonyms
    GTPL11582 | MS-26302 | N-[2-({2-[(2s)-2-Cyanopyrrolidin-1-Yl]-2-Oxoethyl}amino)-2-Methylpropyl]-2-Methylpyrazolo[1,5-...
  4. Anagrelide HCl, Phosphodiesterase 3 inhibitor
    CAS: 58579-51-4 EC Number: 680-360-9 Formula: C10H7Cl2N3O·HCl Molecular Weight: 292.55
    10mM in DMSO
    ● In Stock — US Item #: A408166
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    BL-4162A | 6,7-dichloroimidazo[2,1-b]quinazolin-2(1H,3H,5H)-one hydrochloride
  5. Androsterone
    CAS: 53-41-8 EC Number: 200-173-4 Formula: C19H30O2 Molecular Weight: 290.44
    10mM in DMSO
    ● In Stock — US Item #: A424570
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    IUPAC Name
    (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    SMILES
    CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
    InChIKey
    QGXBDMJGAMFCBF-HLUDHZFRSA-N
    InChI
    1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
    Synonyms
    (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one | Prestwick3_00...
  6. Androsterone
    CAS: 53-41-8 EC Number: 200-173-4 Formula: C19H30O2 Molecular Weight: 290.44
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
    ◐ .Made to order · 8–12 wks Item #: A121750
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    IUPAC Name
    (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    SMILES
    CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O
    InChIKey
    QGXBDMJGAMFCBF-HLUDHZFRSA-N
    InChI
    1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
    Synonyms
    (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one | Prestwick3_00...
  7. Anemoside A3
    CAS: 129724-84-1 PubChem CID: 11721847 Formula: C41H66O12 Molecular Weight: 750.96
    10mM in DMSO
    ● In Stock — US Item #: A421165
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    IUPAC Name
    (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-show more
    SMILES
    CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)CO)C)C)C(=O)O)C(=C)C)C)O)O)O)O)O
    InChIKey
    ISNDTNDJSXYNKT-DVIRKNLQSA-N
    InChI
    1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)show more
    Synonyms
    (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-(((2S,3R,4S,5S)-4,5-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-...
  8. Anidulafungin, 1,3-beta-glucan synthase inhibitor
    CAS: 166663-25-8 Formula: C58H73N7O17 Molecular Weight: 1140.24
    ● In Stock — US Item #: A334411
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    IUPAC Name
    N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethylshow more
    SMILES
    CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CC(C(NC(=O)C5C(C(CN5C(=O)C(NC(=O)C(NC(=O)C6CC(CN6C(=O)C(NC4=O)C(C)O)O)C(C(C7=CC=C(C=C7)O)O)O)C(C)show more
    InChIKey
    JHVAMHSQVVQIOT-MFAJLEFUSA-N
    InChI
    1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)show more
    Synonyms
    Anidulafungin | LY303366 | Eraxis | HY-13553 | ANIDULAFUNGIN [VANDF] | EN300-19769052 | N-((2R,6S,9S,11R,12R,14aS,15S...
  9. Anacardic acid
    CAS: 16611-84-0 EC Number: 683-602-1 Formula: C22H36O3 Molecular Weight: 348.52
    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 Item #: A422060
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    IUPAC Name
    2-hydroxy-6-pentadecylbenzoic acid
    SMILES
    CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O
    InChIKey
    ADFWQBGTDJIESE-UHFFFAOYSA-N
    InChI
    1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
    Synonyms
    AKOS024457416 | BDBM50240436 | DTXSID00168078 | NSC623096 | NSC-623096 | CHEBI:2696 | 8H693KBS2W | 2-Hydroxy-6-pentad...
  10. Andrographolide, Agonist of TAS2R46;Agonist of TAS2R50;Agonist of TAS2R8
    CAS: 5508-58-7 EC Number: 226-852-5 Formula: C20H30O5 Molecular Weight: 350.45
    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 Item #: A407762
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    Synonyms
    2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalen...
  11. Anethole trithione
    CAS: 532-11-6 EC Number: 208-528-5 Formula: C10H8OS3 Molecular Weight: 240.4
    10mM in DMSO
    ● In Stock — US Item #: A424555
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    IUPAC Name
    5-(4-methoxyphenyl)dithiole-3-thione
    SMILES
    COC1=CC=C(C=C1)C2=CC(=S)SS2
    InChIKey
    KYLIZBIRMBGUOP-UHFFFAOYSA-N
    InChI
    1S/C10H8OS3/c1-11-8-4-2-7(3-5-8)9-6-10(12)14-13-9/h2-6H,1H3
    Synonyms
    5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione | Heporal | Sulfogal | Anethol Trithione,(S) | MLS004774038 | W-105762 |...
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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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