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. Alpelisib (BYL719), PI3-kinase p110-alpha subunit inhibitor
    CAS: 1217486-61-7 EC Number: 806-598-7 Formula: C19H22F3N5O2S Molecular Weight: 441.47
    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 #: A408653
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    Synonyms
    1,2-Pyrrolidinedicarboxamide, N1-[4-methyl-5-[2-(2,2,2-trifluoro-1,1-dimethylethyl)-4-pyridinyl]-2-thiazolyl]-, (2S)-
  2. Almitrine dimesilate
    CAS: 29608-49-9 Formula: C28H37F2N7O6S2 Molecular Weight: 669.76
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423050
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    IUPAC Name
    6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine;methanesulfonic acid
    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
    InChIKey
    MRDBGMJEPGXQHJ-UHFFFAOYSA-N
    InChI
    1S/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,2show more
    Synonyms
    ALMITRINE DIMESILATE [MART.] | N2,N4-Diallyl-6-(4-(bis(4-fluorophenyl)methyl)piperazin-1-yl)-1,3,5-triazine-2,4-diami...
  3. Alnustone
    CAS: 33457-62-4 Formula: C19H18O Molecular Weight: 262.35
    ● In Stock — US warehouse, ships to EU* Item #: A353787
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    IUPAC Name
    (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
    SMILES
    C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2
    InChIKey
    OWMJDOUOHDOUFG-FNCQTZNRSA-N
    InChI
    1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
    Synonyms
    CHEBI:174465 | NSC 378841 | MFCD00926095 | trans,trans-1,7-diphenyl-1,3-heptadien-5-one | DTXSID30415724 | Alnustone ...
  4. Alrestatin
    CAS: 51411-04-2 EC Number: 853-081-7 Formula: C14H9NO4 Molecular Weight: 255.23
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A424416
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    IUPAC Name
    2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid
    SMILES
    C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O
    InChIKey
    GCUCIFQCGJIRNT-UHFFFAOYSA-N
    InChI
    1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)
    Synonyms
    KBioGR_000484 | BCP28030 | AKOS000143709 | s5803 | 2-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pen...
  5. Alsterpaullone, Inhibitor of cyclin dependent kinase 1;Inhibitor of glycogen synthase kinase 3 beta
    CAS: 237430-03-4 EC Number: 636-614-6 Formula: C16H11N3O3 Molecular Weight: 293.28
    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 #: A422785
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    IUPAC Name
    9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
    SMILES
    C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]
    InChIKey
    OLUKILHGKRVDCT-UHFFFAOYSA-N
    InChI
    1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
    Synonyms
    BDBM7262 | EX-A4771 | HMS2043P15 | 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one | J-015199 | BRD-K1751638...
  6. Altiratinib, Neurotrophic tyrosine kinase receptor inhibitor
    CAS: 1345847-93-9 Formula: C26H21F3N4O4 Molecular Weight: 510.46
    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 #: A421300
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    IUPAC Name
    1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
    SMILES
    C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F
    InChIKey
    GNNDEPIMDAZHRQ-UHFFFAOYSA-N
    InChI
    1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,show more
    Synonyms
    NSC784590 | NSC-784590 | DCC-270 | J-690136 | Q27074416 | Altiratinib(DCC-2701) | s6412 | GNNDEPIMDAZHRQ-UHFFFAOYSA-N...
  7. Alpinetin
    CAS: 36052-37-6 Formula: C16H14O4 Molecular Weight: 270.28
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423623
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    IUPAC Name
    (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
    SMILES
    COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O
    InChIKey
    QQQCWVDPMPFUGF-ZDUSSCGKSA-N
    InChI
    1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1
    Synonyms
    (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-5-METHOXY-2...
  8. Alpinetin
    CAS: 36052-37-6 Formula: C16H14O4 Molecular Weight: 270.28
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A357136
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    IUPAC Name
    (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
    SMILES
    COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)O
    InChIKey
    QQQCWVDPMPFUGF-ZDUSSCGKSA-N
    InChI
    1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1
    Synonyms
    (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | 4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-7-HYDROXY-5-METHOXY-2...
  9. Alprenlol Hydrochloride
    CAS: 13707-88-5 EC Number: 237-244-4 Formula: C15H23NO2 · HCl Molecular Weight: 285.81
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A421411
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    IUPAC Name
    1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
    SMILES
    CC(C)NCC(COC1=CC=CC=C1CC=C)O.Cl
    InChIKey
    RRCPAXJDDNWJBI-UHFFFAOYSA-N
    InChI
    1S/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H
    Synonyms
    Alprenolol hydrochloride | 1-[(1-methylethyl)amino]-3-[2-(2-propenyl)phenoxy]-2-propanolhydrochloride | 2-Propanol, 1...
  10. Alprostadil, Prostanoid EP2 receptor agonist
    CAS: 745-65-3 EC Number: 212-017-2 Formula: C20H34O5 Molecular Weight: 354.48
    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
    ● In Stock — US warehouse, ships to EU* Item #: A409017
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    Synonyms
    Prostaglandin-E1, PGE1, Edex, Muse, Liprostin | 11,15-dihydroxy-9-oxo-, (11α,13E,15S)-prost-13-en-1-oic acid
  11. Allylestrenol
    CAS: 432-60-0 EC Number: 207-082-9 Formula: C21H32O Molecular Weight: 300.48
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A423953
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    IUPAC Name
    (8R,9S,10R,13S,14S,17R)-13-methyl-17-prop-2-enyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
    SMILES
    CC12CCC3C(C1CCC2(CC=C)O)CCC4=CCCCC34
    InChIKey
    ATXHVCQZZJYMCF-XUDSTZEESA-N
    InChI
    1S/C21H32O/c1-3-12-21(22)14-11-19-18-9-8-15-6-4-5-7-16(15)17(18)10-13-20(19,21)2/h3,6,16-19,22H,1,4-5,7-14H2,2H3/t16-,17+,18+,19-,20-,21-/m0/s1
    Synonyms
    17-Hydroxy-17-alpha-allyl-4-estrene | Alilestrenol [INN-Spanish] | Allilestrenolo | Tox21_111718 | Q531965 | ALLYLEST...
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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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