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. PF-6683324
    CAS: 1799788-94-5 EC Number: 110-753-8 PubChem CID: 118189484 Formula: C24H23F4N5O4 Molecular Weight: 521.46
    ◐ Made to order · 8–12 wks Item #: P648737
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    IUPAC Name
    2-[(3S,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
    SMILES
    CN1C=C(N=C1)C2=CC(=C(N=C2)OC3CCN(CC3F)C(=O)CC4=CC=C(C=C4)OC(F)(F)F)C(=O)N
    InChIKey
    XJIIVPVOGYFVME-AZUAARDMSA-N
    InChI
    1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,show more
  2. BAMEA-O16B
    CAS: 2490668-30-7 PubChem CID: 155374948 Formula: C56H111N3O6S6 Molecular Weight: 1114.89
    ◐ Made to order · 8–12 wks Item #: B648773
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    IUPAC Name
    2-(dodecyldisulfanyl)ethyl 3-[2-[2-[bis[3-[2-(dodecyldisulfanyl)ethoxy]-3-oxopropyl]amino]ethyl-methylamino]ethylamino]propanoate
    SMILES
    CCCCCCCCCCCCSSCCOC(=O)CCNCCN(C)CCN(CCC(=O)OCCSSCCCCCCCCCCCC)CCC(=O)OCCSSCCCCCCCCCCCC
    InChIKey
    WBCDKXLTOZQTMM-UHFFFAOYSA-N
    InChI
    1S/C56H111N3O6S6/c1-5-8-11-14-17-20-23-26-29-32-48-66-69-51-45-63-54(60)35-38-57-39-42-58(4)43-44-59(40-36-55(61)64-46-52-70-67-49-33-30-27-24-21-18-1show more
  3. Isoallolithocholic acid
    CAS: 2276-93-9 PubChem CID: 94228 Formula: C24H40O3 Molecular Weight: 376.57
    ◐ Made to order · 8–12 wks Item #: I648734
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    SMILES
    C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
  4. BAY 60-2770
    CAS: 1027642-43-8 PubChem CID: 23546312 Formula: C35H33F4NO5 Molecular Weight: 623.63
    ◐ Made to order · 8–12 wks Item #: B648785
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    IUPAC Name
    4-[[4-carboxybutyl-[2-[5-fluoro-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
    SMILES
    C1=CC(=CC=C1CN(CCCCC(=O)O)CCC2=C(C=CC(=C2)F)OCC3=CC=C(C=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)O
    InChIKey
    CRQMDXFUKDWARU-UHFFFAOYSA-N
    InChI
    1S/C35H33F4NO5/c36-31-16-17-32(45-23-25-6-8-26(9-7-25)27-12-14-30(15-13-27)35(37,38)39)29(21-31)18-20-40(19-2-1-3-33(41)42)22-24-4-10-28(11-5-24)34(43show more
    Synonyms
    4-({(4-Carboxybutyl)[2-(5-Fluoro-2-{[4'-(Trifluoromethyl)biphenyl-4-Yl]methoxy}phenyl)ethyl]amino}methyl)benzoic Acid...
  5. S186
    CAS: 97759-16-5 PubChem CID: 127255645 Formula: C5H10CaNNaO7P2 Molecular Weight: 321.15
    ◐ Made to order · 8–12 wks Item #: S648733
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    SMILES
    CCC(NC(=O)C)(P(=O)(O)O)P(=O)(O)O.[Na].[Ca]
    InChIKey
    WPTHTLCSASTWJP-UHFFFAOYSA-N
    InChI
    1S/C5H13NO7P2.Ca.Na/c1-3-5(6-4(2)7,14(8,9)10)15(11,12)13;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);;
  6. 5'-O-DMT-N4-Bz-5-Me-dC
    CAS: 104579-03-5 PubChem CID: 11331209 Formula: C38H37N3O7 Molecular Weight: 647.72
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: O648766
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    Technical Identifiers
    IUPAC Name
    N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
    SMILES
    CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
    InChIKey
    YWHPQMVQHSPNRU-LBFZIJHGSA-N
    InChI
    1S/C38H37N3O7/c1-25-23-41(37(44)40-35(25)39-36(43)26-10-6-4-7-11-26)34-22-32(42)33(48-34)24-47-38(27-12-8-5-9-13-27,28-14-18-30(45-2)19-15-28)29-16-20show more
    Synonyms
    N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]be...
  7. 5α-Hydroxycostic acid
    CAS: 132185-83-2 PubChem CID: 14705651 Formula: C15H22O3 Molecular Weight: 250.33
    ◐ Made to order · 8–12 wks Item #: H648782
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    IUPAC Name
    2-[(2R,4aR,8aR)-8a-hydroxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
    SMILES
    CC12CCCC(=C)C1(CC(CC2)C(=C)C(=O)O)O
    InChIKey
    UEQIFFFWXPAQCB-BPLDGKMQSA-N
    InChI
    1S/C15H22O3/c1-10-5-4-7-14(3)8-6-12(9-15(10,14)18)11(2)13(16)17/h12,18H,1-2,4-9H2,3H3,(H,16,17)/t12-,14-,15-/m1/s1
  8. GSK2838232
    CAS: 1443460-91-0 PubChem CID: 71580991 Formula: C48H73ClN2O6 Molecular Weight: 809.56
    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%
    ◐ Made to order · 8–12 wks Item #: G648771
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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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