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).

136,943 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

2,815

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. Cimetropium Bromide
    CAS: 51598-60-8 PubChem CID: 20054870 Formula: C21H28BrNO4 Molecular Weight: 438.36
    ◐ Made to order · 8–12 wks Item #: C646267
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    Technical Identifiers
    IUPAC Name
    [(1R,2R,4S,5S)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;bromide
    SMILES
    C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)CC5CC5.[Br-]
    InChIKey
    WDURTRGFUGAJHA-HNHWXVNLSA-M
    InChI
    1S/C21H28NO4.BrH/c1-22(11-13-7-8-13)17-9-15(10-18(22)20-19(17)26-20)25-21(24)16(12-23)14-5-3-2-4-6-14;/h2-6,13,15-20,23H,7-12H2,1H3;1H/q+1;/p-1/t15?,1show more
    Synonyms
    3-Oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane, 9-(cyclopropylmethyl)-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, brom...
  2. Asperphenamate
    CAS: 63631-36-7 PubChem CID: 173952 Formula: C32H30N2O4 Molecular Weight: 506.59
    ◐ Made to order · 8–12 wks Item #: A646279
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    IUPAC Name
    [(2S)-2-benzamido-3-phenylpropyl] (2S)-2-benzamido-3-phenylpropanoate
    SMILES
    C1=CC=C(C=C1)CC(COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
    InChIKey
    CVULDJMCSSACEO-VMPREFPWSA-N
    InChI
    1S/C32H30N2O4/c35-30(26-17-9-3-10-18-26)33-28(21-24-13-5-1-6-14-24)23-38-32(37)29(22-25-15-7-2-8-16-25)34-31(36)27-19-11-4-12-20-27/h1-20,28-29H,21-23show more
    Synonyms
    anabellamide|L-PHENYLALANINE, N-BENZOYL-, 2-(BENZOYLAMINO)-3-PHENYLPROPYL ESTER, (S)-|N-BENZOYL-L-PHENYLALANINOL N-BE...
  3. JAK1-IN-8
    CAS: 1973485-18-5 PubChem CID: 122462620 Formula: C22H23FN4O3S Molecular Weight: 442.51
    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 #: J646171
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    IUPAC Name
    N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
    SMILES
    C1CC1C(=O)NC2=CN3C(=N2)C=CC=C3C4=CC(=C(C=C4)CN5CCS(=O)(=O)CC5)F
    InChIKey
    QDYVZZJCRDVVQG-UHFFFAOYSA-N
    InChI
    1S/C22H23FN4O3S/c23-18-12-16(6-7-17(18)13-26-8-10-31(29,30)11-9-26)19-2-1-3-21-24-20(14-27(19)21)25-22(28)15-4-5-15/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(show more
    Synonyms
    N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
  4. Procyanidin A1
    CAS: 103883-03-0 PubChem CID: 9872976 Formula: C30H24O12 Molecular Weight: 576.50
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: P640226
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    IUPAC Name
    (1R,5R,6S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21show more
    SMILES
    C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O
    InChIKey
    NSEWTSAADLNHNH-TXZJYACMSA-N
    InChI
    1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-1show more
  5. RO5461111
    CAS: 1252637-46-9 Formula: C27H24F6N4O4S Molecular Weight: 614.56
    ◐ Made to order · 8–12 wks Item #: R646264
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    SMILES
    O=C([C@H]1N(C(C2(C(F)(F)F)CC2)=O)C[C@H](S(=O)(C3=CC=C(C4=CC(C)=NC=C4)C=C3C(F)(F)F)=O)C1)NC5(C#N)CC5
  6. Meptyldinocap
    CAS: 131-72-6 Formula: C18H24N2O6 Molecular Weight: 364.39
    ◐ Made to order · 8–12 wks Item #: M646199
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    IUPAC Name
    (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate
    SMILES
    CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC
    InChIKey
    NIOPZPCMRQGZCE-WEVVVXLNSA-N
    InChI
    1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+
    Synonyms
    2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate|(+/-)-MEPTYLDINOCAP|2-Butenoic acid, 2-(1-methylheptyl)-4,6-dinitro...
  7. (Rac)-Pyrotinib
    CAS: 1246089-97-3 Formula: C32H31ClN6O3 Molecular Weight: 583.08
    ◐ Made to order · 8–12 wks Item #: P646232
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    Technical Identifiers
    SMILES
    O=C(NC1=C(OCC)C=C2N=CC(C#N)=C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)C2=C1)/C=C/C5N(C)CCC5
  8. H-Tyr-Tyr-OH
    CAS: 1050-28-8 PubChem CID: 70590 Formula: C18H20N2O5 Molecular Weight: 344.36
    ◐ Made to order · 8–12 wks Item #: H646286
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
    SMILES
    C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)N)O
    InChIKey
    JAQGKXUEKGKTKX-HOTGVXAUSA-N
    InChI
    1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16-/m0/s1
    Synonyms
    Tyrosyltyrosine|Tyrosyl-Tyrosine|Peptide tyrosine-tyrosine|H-TYR-TYR-OH|YY|di-L-tyrosine|Dipiroxim|L-Tyr-L-Tyr|(S)-2-...
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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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