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. 9Z,11E,13E-Octadecatrienoic Acid ethyl ester
    CAS: 42021-86-3 PubChem CID: 12430060 Formula: C20H34O2 Molecular Weight: 306.48
    10mg/mL in ethanol
    ◐ .Made to order · 8–12 wks Item #: Z337626
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    IUPAC Name
    ethyl (9Z,11E,13E)-octadeca-9,11,13-trienoate
    SMILES
    CCCCC=CC=CC=CCCCCCCCC(=O)OCC
    InChIKey
    YVGCHYVFHLTZIM-CPIUXLSQSA-N
    InChI
    1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h7-12H,3-6,13-19H2,1-2H3/b8-7+,10-9+,12-11-
    Synonyms
    α-ESA ethyl ester | Ethyl α-eleostearate | 9(Z),11(E),13(E)-Octadecatrienoic Acid ethyl ester
  2. A-1210477
    CAS: 1668553-26-1 Formula: C46H55N7O7S Molecular Weight: 850.04
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A422067
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    IUPAC Name
    7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indoleshow more
    SMILES
    CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C
    InChIKey
    XMVAWGSQPHFXKU-UHFFFAOYSA-N
    InChI
    1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6show more
    Synonyms
    7-[5-[[4-[4-[(Dimethylamino)sulfonyl]-1-piperazinyl]phenoxy]methyl]-1,3-dimethyl-1H-pyrazol-4-yl]-1-[2-(4-morpholinyl...
  3. A-1331852, Inhibitor of Bcl-2-like 1
    CAS: 1430844-80-6 Formula: C38H38N6O3S Molecular Weight: 658.81
    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 #: A408788
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    Synonyms
    2-​Pyridinecarboxylic acid, 6-​[8-​[(2-​benzothiazolylamino)​carbonyl]​-​3,​4-​dihydro-​2(1H)​-​isoquinolinyl]​-​3-​[5-...
  4. A-769662
    CAS: 844499-71-4 EC Number: 878-650-7 Formula: C20H12N2O3S Molecular Weight: 360.39
    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 #: A407840
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    Synonyms
    Thieno[2,3-b]pyridine-5-carbonitrile, 6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-
  5. A-83-01
    CAS: 909910-43-6 EC Number: 635-614-3 Formula: C25H19N5S Molecular Weight: 421.52
    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 #: A408570
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    Synonyms
    1H-​Pyrazole-​1-​carbothioamide, 3-​(6-​methyl-​2-​pyridinyl)​-​N-​phenyl-​4-​(4-​quinolinyl)​-
  6. A 438079 hydrochloride
    CAS: 899431-18-6 EC Number: 663-461-2 Formula: C13H9Cl2N5•HCl Molecular Weight: 342.61
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426749
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    IUPAC Name
    3-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]pyridine;hydrochloride
    SMILES
    C1=CC(=C(C(=C1)Cl)Cl)C2=NN=NN2CC3=CN=CC=C3.Cl
    InChIKey
    MBTJFFMIPPMRGR-UHFFFAOYSA-N
    InChI
    1S/C13H9Cl2N5.ClH/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9;/h1-7H,8H2;1H
    Synonyms
    AKOS012956608 | AC-32751 | F17857 | ZKB43118 | CCG-267952 | HY-15488A | BCP34027 | ZKB50736 | 3-(5-(2,3-Dichloropheny...
  7. A 779
    CAS: 159432-28-7 PubChem CID: 10169886 Formula: C39H60N12O11 Molecular Weight: 872.98
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421908
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    IUPAC Name
    (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxshow more
    SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
    InChIKey
    GZSZZUXDAPDPOR-NGIFJXEWSA-N
    InChI
    1S/C39H60N12O11/c1-6-20(4)31(37(60)49-28(15-23-17-43-18-45-23)34(57)46-21(5)38(61)62)51-35(58)27(14-22-9-11-24(52)12-10-22)48-36(59)30(19(2)3)50-33(56show more
    Synonyms
    Asp-Arg-Val-Tyr-Ile-His-|D|-Ala-OH|(|D|-Ala|7|)-Angiotensin I/II (1-7)
  8. A 85380 dihydrochloride
    CAS: 174740-86-4 PubChem CID: 10399247 Formula: C9H12N2O•2HCl Molecular Weight: 237.13
    ◐ .Made to order · 8–12 wks Item #: A286780
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    IUPAC Name
    3-[[(2S)-azetidin-2-yl]methoxy]pyridine;dihydrochloride
    SMILES
    C1CNC1COC2=CN=CC=C2.Cl.Cl
    InChIKey
    GVEVDINKRFDXFP-JZGIKJSDSA-N
    InChI
    1S/C9H12N2O.2ClH/c1-2-9(6-10-4-1)12-7-8-3-5-11-8;;/h1-2,4,6,8,11H,3,5,7H2;2*1H/t8-;;/m0../s1
    Synonyms
    3-[(2S)-2-Azetidinylmethoxy]-pyridine dihydrochloride
  9. A-803467, Channel blocker of Na v1.8
    CAS: 944261-79-4 EC Number: 687-382-8 Formula: C19H16ClNO4 Molecular Weight: 357.79
    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 #: A409222
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    Synonyms
    5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
  10. A 196, Inhibitor of lysine methyltransferase 5B;Inhibitor of lysine methyltransferase 5C
    CAS: 1982372-88-2 EC Number: 110-377-4 Formula: C18H16Cl2N4 Molecular Weight: 359.25
    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 #: A422407
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    IUPAC Name
    6,7-dichloro-N-cyclopentyl-4-pyridin-4-ylphthalazin-1-amine
    SMILES
    C1CCC(C1)NC2=NN=C(C3=CC(=C(C=C32)Cl)Cl)C4=CC=NC=C4
    InChIKey
    ABGOSOMRWSYAOB-UHFFFAOYSA-N
    InChI
    1S/C18H16Cl2N4/c19-15-9-13-14(10-16(15)20)18(22-12-3-1-2-4-12)24-23-17(13)11-5-7-21-8-6-11/h5-10,12H,1-4H2,(H,22,24)
    Synonyms
    6,7-Dichloro-N-cyclopentyl-4-(4-pyridinyl)-1-phthalazinamine
  11. A 366, Inhibitor of euchromatic histone lysine methyltransferase 1;Inhibitor of euchromatic histone lysine methyltransferase 2
    CAS: 1527503-11-2 EC Number: 808-907-0 Formula: C19H27N3O2 Molecular Weight: 329.44
    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 #: A421810
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    IUPAC Name
    5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine
    SMILES
    COC1=C(C=C2C(=C1)C3(CCC3)C(=N2)N)OCCCN4CCCC4
    InChIKey
    BKCDJTRMYWSXMC-UHFFFAOYSA-N
    InChI
    1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
    Synonyms
    s7572 | 1527503-11-2 | HY-12583 | AKOS024458525 | A900236 | BKCDJTRMYWSXMC-UHFFFAOYSA-N | BCP17827 | CCG-267804 | 5'-...
  12. A 804598, Antagonist of P2X7
    CAS: 1125758-85-1 EC Number: 802-550-4 Formula: C19H17N5 Molecular Weight: 315.37
    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 #: A420653
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    IUPAC Name
    1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
    SMILES
    CC(C1=CC=CC=C1)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
    InChIKey
    PQYCRDPLPKGSME-AWEZNQCLSA-N
    InChI
    1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
    Synonyms
    N-Cyano-N"-[(1S)-1-phenylethyl]-N'-5-quinolinyl-guanidine;A-804598;N-Cyano-N′′-[(1S)-1-phenylethyl]-N′-5-quinolinyl-g...
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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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