Targets & Pathways

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. Sennoside B
    CAS: 128-57-4 EC Number: 204-895-0 PubChem CID: 91440 Formula: C42H38O20 Molecular Weight: 862.74
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S421146
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    Technical Identifiers
    IUPAC Name
    (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2Sshow more
    SMILES
    C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
    InChIKey
    IPQVTOJGNYVQEO-AIFLABODSA-N
    InChI
    1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(show more
    Synonyms
    Sennoside B|128-57-4|SennosideB|MLS002473001|CHEBI:34975|F887D1637W|(9R,9'S)-4,4'-dihydroxy-10,10'-dioxo-5,5'-bis(((2...
  2. Sepimostat
    CAS: 103926-64-3 Formula: C21H19N5O2 Molecular Weight: 373.41
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ .Made to order · 8–12 wks Item #: S413390
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    IUPAC Name
    (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate
    SMILES
    C1CN=C(N1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
    InChIKey
    QMRJOIUGPCVZPH-UHFFFAOYSA-N
    InChI
    1S/C21H19N5O2/c22-19(23)16-2-1-15-12-18(8-5-14(15)11-16)28-20(27)13-3-6-17(7-4-13)26-21-24-9-10-25-21/h1-8,11-12H,9-10H2,(H3,22,23)(H2,24,25,26)
    Synonyms
    SCHEMBL15535526 | Sepimostat [INN] | Q27263101 | HY-136299 | F81697 | (6-carbamimidoylnaphthalen-2-yl) 4-(4,5-dihydro...
  3. Sephin-1
    CAS: 951441-04-6 Formula: C8H9ClN4 Molecular Weight: 196.64
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: S427063
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    IUPAC Name
    2-[(E)-(2-chlorophenyl)methylideneamino]guanidine
    SMILES
    C1=CC=C(C(=C1)C=NN=C(N)N)Cl
    InChIKey
    PDWJALXSRRSUHR-LFYBBSHMSA-N
    InChI
    1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
    Synonyms
    AKOS001595395 | Icerguastat | SCHEMBL5460773 | 2-[(E)-(2-Chlorophenyl)methylideneamino]guanidine | NSC-118376 | EINEC...
  4. Sevelamer HCl
    CAS: 152751-57-0 PubChem CID: 159247 Formula: C6H13Cl2NO Molecular Weight: 186.08
    100%
    ◐ .Made to order · 8–12 wks Item #: S413094
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    IUPAC Name
    2-(chloromethyl)oxirane;prop-2-en-1-amine;hydrochloride
    SMILES
    C=CCN.C1C(O1)CCl.Cl
    InChIKey
    KHNXRSIBRKBJDI-UHFFFAOYSA-N
    InChI
    1S/C3H5ClO.C3H7N.ClH/c4-1-3-2-5-3;1-2-3-4;/h3H,1-2H2;2H,1,3-4H2;1H
    Synonyms
    AB01568265_01 | FT-0653684 | 2-Propen-1-amine, hydrochloride (1:1), polymer with 2-(chloromethyl)oxirane | Sevelamer ...
  5. Sertraline HCl
    CAS: 79559-97-0 EC Number: 616-702-0 Formula: C17H17Cl2N.HCl Molecular Weight: 342.69
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S426023
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    Technical Identifiers
    IUPAC Name
    (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
    SMILES
    CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl
    InChIKey
    BLFQGGGGFNSJKA-XHXSRVRCSA-N
    InChI
    1S/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/m0./s1
    Synonyms
    CAS-79559-97-0 | Sertraline hydrochloride [USAN] | NSC 758948 | Sertraline hydrochloride- Bio-X | UNII-UTI8907Y6X | A...
  6. Setanaxib (GKT137831), Inhibitor of cytochrome b-245 beta chain;Inhibitor of NADPH oxidase 1;Inhibitor of NADPH oxidase 4;Inhibitor of NADPH oxidase 5
    CAS: 1218942-37-0 EC Number: 942-974-8 PubChem CID: 58496428 Formula: C21H19ClN4O2 Molecular Weight: 394.85
    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 #: S407890
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    Synonyms
    GKT831 | 2-(2-chlorophenyl)-4-(3-(dimethylamino)phenyl)-5-methyl-1,2-dihydro-5H-pyrazolo[4,3-c]pyridine-3,6-dione
  7. Siastatin B microbial
    CAS: 54795-58-3 PubChem CID: 3042898 Formula: C8H14N2O5 Molecular Weight: 218.21
    ◐ .Made to order · 8–12 wks Item #: S335410
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    IUPAC Name
    (3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid
    SMILES
    CC(=O)NC1C(C(C(CN1)C(=O)O)O)O
    InChIKey
    DQTKLICLJUKNCG-ZTYPAOSTSA-N
    InChI
    1S/C8H14N2O5/c1-3(11)10-7-6(13)5(12)4(2-9-7)8(14)15/h4-7,9,12-13H,2H2,1H3,(H,10,11)(H,14,15)/t4-,5-,6-,7+/m0/s1
    Synonyms
    (3S,4S,5R,6R)-6-acetamido-4,5-dihydroxypiperidine-3-carboxylic acid | starbld0005055 | Siastatin B, lyophilized powde...
  8. Sertaconazole nitrate, Cytochrome P450 51 inhibitor
    CAS: 99592-39-9 EC Number: 893-241-3 PubChem CID: 200103 Formula: C20H15Cl3N2OS·HNO3 Molecular Weight: 500.78
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S427226
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    IUPAC Name
    1-[2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole;nitric acid
    SMILES
    C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]
    InChIKey
    HAAITRDZHUANGT-UHFFFAOYSA-N
    InChI
    1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)
    Synonyms
    HMS1571A12 | CAS-99592-39-9 | A851341 | 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H...
  9. Shanzhiside methyl ester
    CAS: 64421-28-9 PubChem CID: 13892722 Formula: C17H26O11 Molecular Weight: 406.38
    ● In Stock — US warehouse, ships to EU* Item #: S414383
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    IUPAC Name
    methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopentshow more
    SMILES
    CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O
    InChIKey
    KKSYAZCUYVRKML-IRDZEPHTSA-N
    InChI
    1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-show more
    Synonyms
    methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7...
  10. Shanzhiside methyl ester
    CAS: 64421-28-9 PubChem CID: 13892722 Formula: C17H26O11 Molecular Weight: 406.38
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: S425262
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    Technical Identifiers
    IUPAC Name
    methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopentshow more
    SMILES
    CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O
    InChIKey
    KKSYAZCUYVRKML-IRDZEPHTSA-N
    InChI
    1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-show more
    Synonyms
    methyl (1S,5R,7S)-5,7-dihydroxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7...
  11. Shield-1
    CAS: 914805-33-7 PubChem CID: 44455162 Formula: C42H56N2O10 Molecular Weight: 748.9
    ◐ .Made to order · 8–12 wks Item #: S412964
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    IUPAC Name
    [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
    SMILES
    CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCCN5CCOCC5
    InChIKey
    NMFHJNAPXOMSRX-PUPDPRJKSA-N
    InChI
    1S/C42H56N2O10/c1-7-33(31-27-38(49-4)40(51-6)39(28-31)50-5)41(45)44-18-9-8-13-34(44)42(46)54-35(16-14-29-15-17-36(47-2)37(25-29)48-3)30-11-10-12-32(26show more
  12. Sephin-1
    CAS: 951441-04-6 Formula: C8H9ClN4 Molecular Weight: 196.64
    ● In Stock — US warehouse, ships to EU* Item #: S413430
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    Technical Identifiers
    IUPAC Name
    2-[(E)-(2-chlorophenyl)methylideneamino]guanidine
    SMILES
    C1=CC=C(C(=C1)C=NN=C(N)N)Cl
    InChIKey
    PDWJALXSRRSUHR-LFYBBSHMSA-N
    InChI
    1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
    Synonyms
    AKOS001595395 | Icerguastat | SCHEMBL5460773 | 2-[(E)-(2-Chlorophenyl)methylideneamino]guanidine | NSC-118376 | EINEC...
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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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