By Target / Pathway / Disease

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).

136,942 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

2,814

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. Altrenogest
    CAS: 850-52-2 EC Number: 212-703-1 Formula: C21H26O2 Molecular Weight: 310.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408330
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    A35957, RU2267 | (8S,13S,14S,17R)-17-allyl-17-hydroxy-13-methyl-1,2,7,8,13,15,16,17-octahydro-6H-cyclopenta[a]phenant...
  2. Aluminum silicate dihydrate
    CAS: 12428-46-5 Formula: Al2Si2O7•2H2O Molecular Weight: 258.16
    Solid
    ● In Stock — US warehouse, ships to EU* Item #: A354453
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    Argilla | Bilt Plate 156 | Glomax | Kaolin colloidal | Kaolin Nanoclay | Montmorillonite Bentonite Clay | beta Coat |...
  3. Alvelestat, Leukocyte elastase inhibitor
    CAS: 848141-11-7 Formula: C25H22F3N5O4S Molecular Weight: 545.53
    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 warehouse, ships to EU* Item #: A426223
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    IUPAC Name
    6-methyl-5-(2-methylpyrazol-3-yl)-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
    SMILES
    CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C
    InChIKey
    QNQZWEGMKJBHEM-UHFFFAOYSA-N
    InChI
    1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,show more
    Synonyms
    NCGC00378593-07 | NSC60020 | 6-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-N-{[5-(methylsulfonyl)pyridin-2-yl]methyl}-2-oxo-1...
  4. Alvimopan, Mu opioid receptor antagonist
    CAS: 156053-89-3 EC Number: 110-129-5 Formula: C25H32N2O4 Molecular Weight: 424.53
    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 warehouse, ships to EU* Item #: A421861
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    IUPAC Name
    2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
    SMILES
    CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
    InChIKey
    UPNUIXSCZBYVBB-JVFUWBCBSA-N
    InChI
    1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,show more
    Synonyms
    2-[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamido]acetic acid | EN300-7393122 | ...
  5. Alvimopan Dihydrate Labeled d7
    CAS: 170098-38-1 EC Number: 814-137-6 Formula: C25H36N2O6 Molecular Weight: 460.6
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422097
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    IUPAC Name
    2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate
    SMILES
    CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
    InChIKey
    USPVLEIQIUNQGE-DBFLIVQGSA-N
    InChI
    1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-show more
    Synonyms
    Alvimopan (USAN) | ADL-8-2698 | Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenyl...
  6. Alvimopan dihydrate
    CAS: 170098-38-1 EC Number: 814-137-6 Formula: C25H36N2O6 Molecular Weight: 460.6
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A352744
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    IUPAC Name
    2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate
    SMILES
    CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
    InChIKey
    USPVLEIQIUNQGE-DBFLIVQGSA-N
    InChI
    1S/C25H32N2O4.2H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;;/h3-10,14,18,20,28H,11-13,15-17H2,1-show more
    Synonyms
    Alvimopan (USAN) | ADL-8-2698 | Glycine, N-(2-((4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-1-oxo-3-phenyl...
  7. Amantadine HCl, Matrix protein 2 inhibitor
    CAS: 665-66-7 EC Number: 211-560-2 Formula: C10H17N·HCl Molecular Weight: 187.71
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408428
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    1-adamantanamine HCl | Tricyclo[3.3.1.13,​7]​decan-​1-​amine, hydrochloride (1:1)
  8. Ambrisentan, Endothelin receptor, ET-A/ET-B antagonist
    CAS: 177036-94-1 EC Number: 658-059-9 Formula: C22H22N2O4 Molecular Weight: 378.42
    Liquid 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 warehouse, ships to EU* Item #: A408058
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    LU-208075, BSF-208075 | (αS)​-α-​[(4,​6-​dimethyl-​2-​pyrimidinyl)​oxy]​-​β-​methoxy-​β-​phenyl-benzenepropanoic acid
  9. Amarogentin, Agonist of TAS2R30;Agonist of TAS2R43;Agonist of TAS2R46;Agonist of TAS2R50
    CAS: 21018-84-8 EC Number: 639-021-0 Formula: C29H30O13 Molecular Weight: 586.54
    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 warehouse, ships to EU* Item #: A422554
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    IUPAC Name
    [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dishow more
    SMILES
    C=CC1C2CCOC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O
    InChIKey
    DBOVHQOUSDWAPQ-WTONXPSSSA-N
    InChI
    1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5show more
    Synonyms
    1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-4,4a,5,6-tetrahydro-6-((2-O-((3,3',5-trihydroxy(1,1'-biphenyl)-2-yl)carbony...
  10. Amiloride (MK-870) HCl
    CAS: 2016-88-8 Formula: C6H8ClN7O · HCl · xH2O Molecular Weight: 266.09(free basis)
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408445
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    1-(3,5-diamino-2-chloropyrazine-6-carbonyl)guanidine hydrochloride
  11. Amezinium Methyl Sulfate
    CAS: 30578-37-1 EC Number: 250-248-0 Formula: C12H15N3O5S Molecular Weight: 313.33
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423166
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    IUPAC Name
    6-methoxy-1-phenylpyridazin-1-ium-4-amine;methyl sulfate
    SMILES
    COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.COS(=O)(=O)[O-]
    InChIKey
    ZEASXVYVFFXULL-UHFFFAOYSA-N
    InChI
    1S/C11H11N3O.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)
    Synonyms
    Regulton | Amezinium methyl sulfate | DS-14012 | Metroc | Amezinin | 4-amino-6-methoxy-1-phenylpyridaziniummethylsulf...
  12. Amfebutamone (Bupropion) HCl, Norepinephrine transporter inhibitor
    CAS: 31677-93-7 EC Number: 250-759-9 Formula: C13H18ClNO.HCl Molecular Weight: 276.2
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A409254
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    Synonyms
    1-​(3-​chlorophenyl)​-​2-​[(1,​1-​dimethylethyl)​amino]​-1-​propanone,hydrochloride (1:1)
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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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