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 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 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. 1a,1b-dihomo Prostaglandin F2α
    CAS: 57944-39-5 PubChem CID: 6443812 Formula: C22H38O5 Molecular Weight: 382.53
    ≥98% 10 mg/ml in methyl acetate
    ◐ .Made to order · 8–12 wks Item #: A356080
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    Technical Identifiers
    IUPAC Name
    (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
    SMILES
    CCCCCC(C=CC1C(CC(C1CC=CCCCCCC(=O)O)O)O)O
    InChIKey
    ZCTAOAWRUXSOQF-GWSKAPOCSA-N
    InChI
    1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-show more
    Synonyms
    1a,1b-dihomo Prostaglandin F2 alpha | 1a,1b-Dihomoprostaglandin F2 | (Z)-9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-h...
  2. 5-(4-Hydroxyphenyl)-3H-1,2-dithiole-3-thione
    CAS: 18274-81-2 EC Number: 996-524-0 Formula: C9H6OS3 Molecular Weight: 226.34
    ● In Stock — US Item #: H191707
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    Technical Identifiers
    IUPAC Name
    5-(4-hydroxyphenyl)dithiole-3-thione
    SMILES
    C1=CC(=CC=C1C2=CC(=S)SS2)O
    InChIKey
    IWBBKLMHAILHAR-UHFFFAOYSA-N
    InChI
    1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
    Synonyms
    ADT-OH | Desmethylanethol trithione
  3. Gnetol
    CAS: 86361-55-9 Formula: C14H12O4 Molecular Weight: 244.25
    ● In Stock — US Item #: G156796
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    IUPAC Name
    2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
    SMILES
    C1=CC(=C(C(=C1)O)C=CC2=CC(=CC(=C2)O)O)O
    InChIKey
    DQULNTWGBBNZSC-SNAWJCMRSA-N
    InChI
    1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+
    Synonyms
    2,3',5',6-Tetrahydroxy-trans-stilbene
  4. Cathepsin L inhibitor inhibitor
    CAS: 167498-29-5 Formula: C26H26N2O5 Molecular Weight: 446.49
    ◐ .Made to order · 8–12 wks Item #: C343890
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    IUPAC Name
    benzyl N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
    SMILES
    C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=C(C=C2)O)C=O)NC(=O)OCC3=CC=CC=C3
    InChIKey
    QVDJMLQSYRSZKC-UPVQGACJSA-N
    InChI
    1S/C26H26N2O5/c29-17-22(15-20-11-13-23(30)14-12-20)27-25(31)24(16-19-7-3-1-4-8-19)28-26(32)33-18-21-9-5-2-6-10-21/h1-14,17,22,24,30H,15-16,18H2,(H,27,show more
    Synonyms
    N-(Benzyloxycarbonyl)-L-phenylalanyl-L-tyrosinal | BDBM50084650 | N-(benzyloxycarbonyl)-phenylalanyl-l-tyrosinal | {(...
  5. 3-hydroxy-2-methylpropanoic acid
    CAS: 2068-83-9 EC Number: 819-819-7 PubChem CID: 87 Formula: C4H8O3 Molecular Weight: 104.11
    ● In Stock — US Item #: R343446
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    Technical Identifiers
    IUPAC Name
    3-hydroxy-2-methylpropanoic acid
    SMILES
    CC(CO)C(=O)O
    InChIKey
    DBXBTMSZEOQQDU-UHFFFAOYSA-N
    InChI
    1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
    Synonyms
    3-Hydroxy-2-methyl propanoic acid | A936209 | rac 3-Hydroxyisobutyric Acid Sodium Salt | K75C8JDF5W | SCHEMBL61073 | ...
  6. (±)-Blebbistatin
    CAS: 674289-55-5 Formula: C18H16N2O2 Molecular Weight: 292.34
    ● In Stock — US Item #: B275951
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    IUPAC Name
    3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
    SMILES
    CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O
    InChIKey
    LZAXPYOBKSJSEX-UHFFFAOYSA-N
    InChI
    1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3
    Synonyms
    1,2,3,3a-Tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one | 1-Phenyl-1,2,3,4-tetrahydro-4-hydr...
  7. [Des-octanoyl] -Ghrelin(rat) TFA
    CAS: 307950-60-3 PubChem CID: 90488789 Formula: C141H232F3N45O43 Molecular Weight: 3302.65
    ≥98% TFA salt
    ● In Stock — US Item #: D288195
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    Technical Identifiers
    IUPAC Name
    (4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoshow more
    SMILES
    CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)show more
    InChIKey
    CMCPTGQGZXKKEH-MGXJLMSJSA-N
    InChI
    1S/C139H231N45O41/c1-73(2)62-92(123(210)172-90(42-48-107(149)192)134(221)181-58-22-37-102(181)132(219)173-91(137(224)225)34-21-57-156-139(152)153)174-show more
    Synonyms
    Des-acyl ghrelin (rat) | Des-acyl ghrelin (rat) TFA
  8. 3-Methylcrotonylglycine
    CAS: 33008-07-0 Formula: C7H11NO3 Molecular Weight: 157.17
    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 #: M276164
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    IUPAC Name
    2-(3-methylbut-2-enoylamino)acetic acid
    SMILES
    CC(=CC(=O)NCC(=O)O)C
    InChIKey
    PFWQSHXPNKRLIV-UHFFFAOYSA-N
    InChI
    1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
    Synonyms
    HY-113232 | N-(3-methylbut-2-enoyl)glycine | FT-0671623 | SCHEMBL232926 | Hexasodium cyclohexaphosphoxane-2,4,6,8,10,...
  9. Gramine
    CAS: 87-52-5 EC Number: 201-749-8 Formula: C11H14N2 Molecular Weight: 174.24
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥98%
    ● In Stock — US Item #: G107687
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    Technical Identifiers
    IUPAC Name
    1-(1H-indol-3-yl)-N,N-dimethylmethanamine
    SMILES
    CN(C)CC1=CNC2=CC=CC=C21
    InChIKey
    OCDGBSUVYYVKQZ-UHFFFAOYSA-N
    InChI
    1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
    Synonyms
    A842252 | BRD-K26005076-001-03-7 | BSPBio_000598 | NCGC00016343-03 | TNP00029 | CAS-87-52-5 | FGQ8A78L14 | SCHEMBL635...
  10. 4-Amino-5-(bromomethyl)-2-methylpyrimidine dihydrobromide
    CAS: 5423-98-3 PubChem CID: 5253159 Formula: C6H10Br3N3 Molecular Weight: 363.88
    ◐ .Made to order · 8–12 wks Item #: A275513
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    Technical Identifiers
    IUPAC Name
    N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
    SMILES
    CC1=C(SC2=NC=NC(=C12)NCC3COC4=CC=CC=C4O3)C
    InChIKey
    WXGIXNLIJQWFLG-UHFFFAOYSA-N
    InChI
    1S/C17H17N3O2S/c1-10-11(2)23-17-15(10)16(19-9-20-17)18-7-12-8-21-13-5-3-4-6-14(13)22-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19,20)
    Synonyms
    N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine | N-(2,3-dihydro-1,4-benzodiox...
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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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