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. AZD1080, Inhibitor of glycogen synthase kinase 3 alpha;Inhibitor of glycogen synthase kinase 3 beta
    CAS: 612487-72-6 Formula: C19H18N4O2 Molecular Weight: 334.37
    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 #: A425069
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    Technical Identifiers
    IUPAC Name
    2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
    SMILES
    C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O
    InChIKey
    BLTVBQXJFVRPFK-UHFFFAOYSA-N
    InChI
    1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
    Synonyms
    1,3-DICHLOROPROPENE, (1E)- | 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile | AKOS026674123 ...
  2. AZD2461
    CAS: 1174043-16-3 EC Number: 682-440-9 Formula: C22H22FN3O3 Molecular Weight: 395.43
    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 #: A408089
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    Synonyms
    1(2H)-Phthalazinone, 4-[[4-fluoro-3-[(4-methoxy-1-piperidinyl)carbonyl]phenyl]methyl]-
  3. AZD6482, PI3-kinase class I inhibitor
    CAS: 1173900-33-8 Formula: C22H24N4O4 Molecular Weight: 408.45
    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 warehouse, ships to EU* Item #: A420779
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    IUPAC Name
    2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
    SMILES
    CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4
    InChIKey
    IRTDIKMSKMREGO-OAHLLOKOSA-N
    InChI
    1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/tshow more
    Synonyms
    2-[[(1R)-1-[7-Methyl-2-(4-morpholinyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl]ethyl]amino]benzoic acid | HY-10344 | 2-(...
  4. AZD7762, Serine/threonine-protein kinase Chk1 inhibitor
    CAS: 860352-01-8 EC Number: 804-400-3 Formula: C17H19FN4O2S Molecular Weight: 362.42
    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 #: A408077
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    Synonyms
    1-(2-((S)-piperidin-3-ylcarbamoyl)-5-(3-fluorophenyl)thiophen-3-yl)urea
  5. Abiraterone Acetate, Cytochrome P450 17A1 inhibitor
    CAS: 154229-18-2 EC Number: 620-314-7 Formula: C26H33NO2 Molecular Weight: 391.55
    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 #: A421834
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    IUPAC Name
    [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
    SMILES
    CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    InChIKey
    UVIQSJCZCSLXRZ-UBUQANBQSA-N
    InChI
    1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3show more
    Synonyms
    ABIRATERONE ACETATE [MART.] | ABIRATERONE ACETATE [USP-RS] | ABIRATERONE ACETATE [VANDF] | AKOS001036413 | GTPL9288 |...
  6. AZD1208, Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-2 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-3 proto-oncogene; serine/threonine kinase
    CAS: 1204144-28-4 Formula: C21H21N3O2S Molecular Weight: 379.48
    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 #: A420898
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    IUPAC Name
    (5Z)-5-[[2-[(3R)-3-aminopiperidin-1-yl]-3-phenylphenyl]methylidene]-1,3-thiazolidine-2,4-dione
    SMILES
    C1CC(CN(C1)C2=C(C=CC=C2C3=CC=CC=C3)C=C4C(=O)NC(=O)S4)N
    InChIKey
    MCUJKPPARUPFJM-UWCCDQBKSA-N
    InChI
    1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18show more
    Synonyms
    AZD 1208 [WHO-DD] | Q27074698 | FT-0633869 | J-013789 | HY-15604 | S98NFM1378 | SW219766-1 | 1204144-28-4 | AZ-1208 |...
  7. AZD1390, Inhibitor of ATM serine/threonine kinase
    CAS: 2089288-03-7 Formula: C27H32FN5O2 Molecular Weight: 477.57
    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 #: A408361
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    Synonyms
    2H-​Imidazo[4,​5-​c]​quinolin-​2-​one, 7-​fluoro-​1,​3-​dihydro-​3-​methyl-​1-​(1-​methylethyl)​-​8-​[6-​[3-​(1-​pipe...
  8. AZD1480, Tyrosine-protein kinase JAK2 inhibitor
    CAS: 935666-88-9 EC Number: 641-076-0 Formula: C14H14ClFN8 Molecular Weight: 348.77
    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 #: A409220
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    Synonyms
    (S)-5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
  9. Abacavir sulfate, Human immunodeficiency virus type 1 reverse transcriptase inhibitor
    CAS: 188062-50-2 EC Number: 620-488-4 PubChem CID: 441384 Formula: C14H18N6O·1/2 H2O4S Molecular Weight: 335.35
    10mM in Water
    ● In Stock — US warehouse, ships to EU* Item #: A422295
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    IUPAC Name
    [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
    SMILES
    C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO.OS(=O)(=O)O
    InChIKey
    WMHSRBZIJNQHKT-FFKFEZPRSA-N
    InChI
    1S/2C14H18N6O.H2O4S/c2*15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;1-5(2,3)4/h2*1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);(H2,1,2,3show more
    Synonyms
    Abacavir sulfate | Abacavir sulfate (JAN/USP) | B6091 | Abacavir sulfate racemic [USP-RS] | NSC-760063 | ABACAVIR SUL...
  10. Abafungin
    CAS: 129639-79-8 Formula: C21H22N4OS Molecular Weight: 378.49
    ● In Stock — US warehouse, ships to EU* Item #: A335389
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    IUPAC Name
    4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
    SMILES
    CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C
    InChIKey
    TYBHXIFFPVFXQW-UHFFFAOYSA-N
    InChI
    1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
    Synonyms
    abafungina | Abafungin [INN:BAN] | AS-74209 | MFCD00942263 | BCP08353 | EX-A7765 | N-[4-[2-(2,4-dimethylphenoxy)pheny...
  11. Abemaciclib mesylate (LY2835219)
    CAS: 1231930-82-7 EC Number: 812-956-3 PubChem CID: 71576678 Formula: C27H32F2N8.CH4O3S Molecular Weight: 602.7
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A407844
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    Synonyms
    2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1...
  12. Abexinostat (PCI-24781), Histone deacetylase inhibitor
    CAS: 783355-60-2 EC Number: 811-183-9 Formula: C21H23N3O5 Molecular Weight: 397.42
    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 #: A408275
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    Synonyms
    CRA-024781 | 3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide
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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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