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. Alogliptin, Inhibitor of dipeptidyl peptidase 4
    CAS: 850649-61-5 EC Number: 821-899-3 Formula: C18H21N5O2 Molecular Weight: 339.39
    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 #: A426253
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    Technical Identifiers
    IUPAC Name
    2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
    SMILES
    CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N
    InChIKey
    ZSBOMTDTBDDKMP-OAHLLOKOSA-N
    InChI
    1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1
    Synonyms
    HMS3269G15 | A836477 | Alogliptin [INN] | AMY22119 | CCG-267914 | 2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dio...
  2. Alogliptin (SYR-322) benzoate, Dipeptidyl peptidase IV inhibitor
    CAS: 850649-62-6 EC Number: 691-730-4 Formula: C25H27N5O4 Molecular Weight: 461.522
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408090
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    Synonyms
    SYR-322 | (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile benz...
  3. Aloin B
    CAS: 28371-16-6 Formula: C21H22O9 Molecular Weight: 418.39
    ● In Stock — US warehouse, ships to EU* Item #: A303324
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    IUPAC Name
    (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
    SMILES
    C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO
    InChIKey
    AFHJQYHRLPMKHU-WEZNYRQKSA-N
    InChI
    1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,show more
    Synonyms
    (10R)-10-.BETA.-D-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-(HYDROXYMETHYL)-9(10H)-ANTHRACENONE | CHEBI:74131 | SCHEMBL181616 | ...
  4. Aloin
    CAS: 1415-73-2 EC Number: 215-808-0 Formula: C21H22O9 Molecular Weight: 418.39
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408967
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    Synonyms
    Barbaloin, Barbalin | 9(10H)-Anthracenone, 10-β-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-, (10S)-
  5. Ambenonium dichloride
    CAS: 52022-31-8 EC Number: 204-107-5 PubChem CID: 71587164 Formula: C₂₈H₄₂Cl₂N₄O₂・C₁₂ Molecular Weight: 608.48
    ◐ .Made to order · 8–12 wks Item #: A334919
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    IUPAC Name
    (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium;dichloride;tetrahydrate
    SMILES
    CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.O.O.O.O.[Cl-].[Cl-]
    InChIKey
    FFLYNBGKFQTWPI-UHFFFAOYSA-N
    InChI
    1S/C28H40Cl2N4O2.2ClH.4H2O/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30;;;;;;/h9-16H,5-8,show more
    Synonyms
    (OXALYLBIS(IMINOETHYLENE))BIS((O-CHLOROBENZYL)DIETHYLAMMONIUM) DICHLORIDE TETRAHYDRATE | BENZENEMETHANAMINIUM, N,N'-(...
  6. Alverine, Hepatocyte nuclear factor 4-alpha activator
    CAS: 150-59-4 EC Number: 205-763-5 Formula: C20H27N Molecular Weight: 281.44
    ● In Stock — US warehouse, ships to EU* Item #: A413375
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    IUPAC Name
    N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
    SMILES
    CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
    InChIKey
    ZPFXAOWNKLFJDN-UHFFFAOYSA-N
    InChI
    1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
    Synonyms
    ALVERINE [HSDB] | cid_21718 | Profenil | Alverina | citric acid;ethyl-bis(3-phenylpropyl)amine | Dipropylamine, N-eth...
  7. Alverine, Hepatocyte nuclear factor 4-alpha activator
    CAS: 150-59-4 EC Number: 205-763-5 Formula: C20H27N Molecular Weight: 281.44
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421776
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    IUPAC Name
    N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine
    SMILES
    CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2
    InChIKey
    ZPFXAOWNKLFJDN-UHFFFAOYSA-N
    InChI
    1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3
    Synonyms
    ALVERINE|150-59-4|Phenopropamine|Phenpropamine|Dipropylin|Dipropyline|Profenil|Sestron|Di(phenylpropyl)ethylamine|N-E...
  8. Alverine Citrate
    CAS: 5560-59-8 EC Number: 226-929-3 Formula: C20H27N.C6H8O7 Molecular Weight: 473.56
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A424734
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    Technical Identifiers
    IUPAC Name
    N-ethyl-3-phenyl-N-(3-phenylpropyl)propan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
    SMILES
    CCN(CCCC1=CC=CC=C1)CCCC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
    InChIKey
    RYHCACJBKCOBTJ-UHFFFAOYSA-N
    InChI
    1S/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,show more
    Synonyms
    NSC 35459 | PHENPROPAMINE CITRATE | SR-01000003029 | HMS2091G17 | HMS2232D03 | Opera_ID_1477 | AS-56723 | SR-01000003...
  9. Alvespimycin (17-DMAG) HCl
    CAS: 467214-21-7 PubChem CID: 9852573 Formula: C32H48N4O8•HCl Molecular Weight: 653.21
    Liquid 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: A408726
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    Synonyms
    NSC 707545,BMS 826476 HCl,KOS 1022 | Geldanamycin, 17-demethoxy-17-[[2-(dimethylamino)ethyl]amino]-, monohydrochloride
  10. Ambroxol HCl
    CAS: 23828-92-4 EC Number: 245-899-2 Formula: C13H18Br2N2O·HCl Molecular Weight: 414.56
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408443
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    Synonyms
    Cyclohexanol, 4-[[(2-amino-3,5-dibromophenyl)methyl]amino]-, hydrochloride (1:1), trans-
  11. Amcasertib (BBI503)
    CAS: 1129403-56-0 Formula: C31H33N5O2S Molecular Weight: 539.69
    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 #: A420669
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    Technical Identifiers
    IUPAC Name
    N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
    SMILES
    CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5)NC2=O)C
    InChIKey
    QDWKGEFGLQMDAM-UHFFFAOYSA-N
    InChI
    1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18show more
    Synonyms
    1H-Pyrrole-3-carboxamide | N-​[2-​(diethylamino)​ethyl]​-​5-​[[1,​2-​dihydro-​2-​oxo-​5-​(2-​phenyl-​4-​thiazolyl)​-​...
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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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