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

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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. Granisetron, Antagonist of 5-HT 3A
    CAS: 109889-09-0 EC Number: 686-533-5 Formula: C18H24N4O Molecular Weight: 312.41
    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 #: G420578
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    IUPAC Name
    1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
    SMILES
    CN1C2CCCC1CC(C2)NC(=O)C3=NN(C4=CC=CC=C43)C
    InChIKey
    MFWNKCLOYSRHCJ-AGUYFDCRSA-N
    InChI
    1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+
    Synonyms
    Sustol | UNII-WZG3J2MCOL | CHEBI:5537 | Z1501485362 | 1-Methyl-N-(9-methyl-endo-9-azabicyclo(3.3.1)non-3-yl)-1H-indaz...
  2. Grape Seed Extract
    CAS: 84929-27-1 PubChem CID: 78577443 Formula: C32H30O11 Molecular Weight: 590.581
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: G426240
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    IUPAC Name
    (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,show more
    SMILES
    CC1=CC(=C(C2=C1CC(C(O2)C3=CC(=C(C=C3)O)O)(C)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
    InChIKey
    VWKAFYWVDIOMSL-PMFFMQSYSA-N
    InChI
    1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-1show more
    Synonyms
    84929-27-1|Grape Seed P.E.|(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-di...
  3. Gramine
    CAS: 87-52-5 EC Number: 201-749-8 Formula: C11H14N2 Molecular Weight: 174.24
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G408192
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    Synonyms
    (1H-indol-3-yl)-N,N-dimethylmethanamine
  4. Go 6976, Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of protein kinase C alpha;Inhibitor of protein kinase D1
    CAS: 136194-77-9 Formula: C24H18N4O Molecular Weight: 378.43
    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 #: G421374
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    Technical Identifiers
    IUPAC Name
    3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile
    SMILES
    CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O
    InChIKey
    VWVYILCFSYNJHF-UHFFFAOYSA-N
    InChI
    1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
    Synonyms
    Go 6976 - CAS 136194-77-9 | KBio3_000822 | GO6976 | Go-6976 | NCGC00163451-02 | BRD-K59304176-001-03-3 | Bio1_001135 ...
  5. Golgicide A
    CAS: 1139889-93-2 Formula: C17H14F2N2 Molecular Weight: 284.3
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: G420705
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    IUPAC Name
    (3aR,9bS)-6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
    SMILES
    C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4
    InChIKey
    NJZHEQOUHLZCOX-FTLRAWMYSA-N
    InChI
    1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2/t12-,13+,16?/m0/s1
    Synonyms
    HY-100540 | CHEBI:139037 | rel-(3aR,9bS)-6,8-Difluoro-4-(pyridin-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline...
  6. Golvatinib (E7050), Vascular endothelial growth factor receptor 2 inhibitor
    CAS: 928037-13-2 Formula: C33H37F2N7O4 Molecular Weight: 633.69
    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 #: G408315
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    Technical Identifiers
    Synonyms
    1,1-Cyclopropanedicarboxamide, N-[2-fluoro-4-[[2-[[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]amino]-4-pyridi...
  7. Glycyram
    CAS: 1407-03-0 Formula: C42H62O16·NH3 Molecular Weight: 839.96
    ● In Stock — US warehouse, ships to EU* Item #: G302828
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    Technical Identifiers
    IUPAC Name
    (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10show more
    SMILES
    CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N
    InChIKey
    ILRKKHJEINIICQ-OOFFSTKBSA-N
    InChI
    1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-show more
    Synonyms
    AMMONIUM GLYCYRRHIZATE [INCI] | Ammonium glycyrrhizate, European Pharmacopoeia (EP) Reference Standard | Glycyrrhizin...
  8. Go 6983, Inhibitor of protein kinase C alpha;Inhibitor of protein kinase C beta;Inhibitor of protein kinase C delta;Inhibitor of protein kinase C gamma;Inhibitor of protein kinase C zeta
    CAS: 133053-19-7 EC Number: 634-328-6 Formula: C26H26N4O3 Molecular Weight: 442.51
    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 #: G408092
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    Technical Identifiers
    Synonyms
    GOE 6983, Gö 6983 | 1H-Pyrrole-2,5-dione, 3-[1-[3-(dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-
  9. GoSlo SR 5-69
    CAS: 1363419-31-1 Formula: C24H19N2NaO5S Molecular Weight: 470.47
    ● In Stock — US warehouse, ships to EU* Item #: G287054
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    IUPAC Name
    sodium;1-amino-9,10-dioxo-4-(5,6,7,8-tetrahydronaphthalen-2-ylamino)anthracene-2-sulfonate
    SMILES
    C1CCC2=C(C1)C=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-].[Na+]
    InChIKey
    JOJJZTFRBZWSBX-UHFFFAOYSA-M
    InChI
    1S/C24H20N2O5S.Na/c25-22-19(32(29,30)31)12-18(26-15-10-9-13-5-1-2-6-14(13)11-15)20-21(22)24(28)17-8-4-3-7-16(17)23(20)27;/h3-4,7-12,26H,1-2,5-6,25H2,(show more
    Synonyms
    Sodium 1-Amino-9,10-dioxo-4-((5,6,7,8-tetrahydronaphthalen-2-yl)amino)-9,10-dihydroanthracene-2-sulfonate
  10. Aurothiomalate disodium
    CAS: 12244-57-4 EC Number: 235-479-7 Formula: C4H3AuNa2O4S Molecular Weight: 390.08
    ● In Stock — US warehouse, ships to EU* Item #: G338205
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    IUPAC Name
    disodium;gold(1+);2-sulfidobutanedioate
    SMILES
    C(C(C(=O)[O-])[S-])C(=O)[O-].[Na+].[Na+].[Au+]
    InChIKey
    VXIHRIQNJCRFQX-UHFFFAOYSA-K
    InChI
    1S/C4H6O4S.Au.2Na/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;/q;3*+1/p-3
    Synonyms
    Miochrysin | Sodium aurothiomalate | Sodium aurothiomalate(I) | Myocrisine | Myocrisin | gold sodium thiomalate | Myo...
  11. Guggulsterone(pregna-4,17-diene-3,16-dione), Antagonist of Farnesoid X receptor
    CAS: 95975-55-6 EC Number: 982-588-7 Formula: C21H28O2 Molecular Weight: 312.45
    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 #: G427154
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    IUPAC Name
    (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
    SMILES
    CC=C1C(=O)CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
    InChIKey
    WDXRGPWQVHZTQJ-OSJVMJFVSA-N
    InChI
    1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
    Synonyms
    AVQFHKYAVVQYQO-UHFFFAOYSA- | 6CST3U34GN | GUGGULSTERONE Z [USP-RS] | NCGC00260067-01 | Z/E-Guggulsterone | AC-28813 |...
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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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