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. YYA-021
    CAS: 144217-65-2 PubChem CID: 3107635 Formula: C18H27N3O2 Molecular Weight: 317.43
    ● In Stock — US warehouse, ships to EU* Item #: Y338798
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    Technical Identifiers
    IUPAC Name
    N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
    SMILES
    CC1=CC=C(C=C1)NC(=O)C(=O)NC2CC(NC(C2)(C)C)(C)C
    InChIKey
    AYAGJQPDCPRMNG-UHFFFAOYSA-N
    InChI
    1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
    Synonyms
    YYA 021 | N1-(4-Methylphenyl)-N2-(2,2,6,6-tetramethyl-4-piperidinyl)ethanediamide | N-(4-Methylphenyl)-N'-(2,2,6,6-te...
  2. Yohimbine hydrochloride
    CAS: 65-19-0 EC Number: 200-600-4 PubChem CID: 6169 Formula: C21H26N2O3.HCl Molecular Weight: 390.9
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: Y425298
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    Technical Identifiers
    IUPAC Name
    methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
    SMILES
    COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl
    InChIKey
    PIPZGJSEDRMUAW-VJDCAHTMSA-N
    InChI
    1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-show more
    Synonyms
    NCGC00094457-01 | Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, monohydrochloride, (16alpha,17alpha)- | Yoh...
  3. YHO-13177
    CAS: 912287-56-0 PubChem CID: 16757522 Formula: C20H22N2O3S Molecular Weight: 370.47
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: Y426878
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    Technical Identifiers
    IUPAC Name
    (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile
    SMILES
    COC1=C(C=C(C=C1)C(=CC2=CC=C(S2)N3CCC(CC3)O)C#N)OC
    InChIKey
    NOGGBVNCVONHHC-RVDMUPIBSA-N
    InChI
    1S/C20H22N2O3S/c1-24-18-5-3-14(12-19(18)25-2)15(13-21)11-17-4-6-20(26-17)22-9-7-16(23)8-10-22/h3-6,11-12,16,23H,7-10H2,1-2H3/b15-11+
  4. YHO-13177
    CAS: 912287-56-0 PubChem CID: 16757522 Formula: C20H22N2O3S Molecular Weight: 370.47
    ● In Stock — US warehouse, ships to EU* Item #: Y413594
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    Technical Identifiers
    IUPAC Name
    (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile
    SMILES
    COC1=C(C=C(C=C1)C(=CC2=CC=C(S2)N3CCC(CC3)O)C#N)OC
    InChIKey
    NOGGBVNCVONHHC-RVDMUPIBSA-N
    InChI
    1S/C20H22N2O3S/c1-24-18-5-3-14(12-19(18)25-2)15(13-21)11-17-4-6-20(26-17)22-9-7-16(23)8-10-22/h3-6,11-12,16,23H,7-10H2,1-2H3/b15-11+
  5. YHO-13351
    CAS: 1346753-00-1 PubChem CID: 53344604 Formula: C27H37N3O7S2 Molecular Weight: 579.73
    ◐ .Made to order · 8–12 wks Item #: Y302452
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    Technical Identifiers
    IUPAC Name
    [1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] 2-(diethylamino)acetate;methanesulfonic acid
    SMILES
    CCN(CC)CC(=O)OC1CCN(CC1)C2=CC=C(S2)C=C(C#N)C3=CC(=C(C=C3)OC)OC.CS(=O)(=O)O
    InChIKey
    XOEIHKAPFXUACW-QMGGKDRNSA-N
    InChI
    1S/C26H33N3O4S.CH4O3S/c1-5-28(6-2)18-26(30)33-21-11-13-29(14-12-21)25-10-8-22(34-25)15-20(17-27)19-7-9-23(31-3)24(16-19)32-4;1-5(2,3)4/h7-10,15-16,21Hshow more
  6. YL 0919
    CAS: 1339058-04-6 PubChem CID: 122412736 Formula: C18H23ClN2O2 Molecular Weight: 334.8
    ◐ .Made to order · 8–12 wks Item #: Y412295
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    Technical Identifiers
    IUPAC Name
    1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]pyridin-2-one;hydrochloride
    SMILES
    C1CN(CCC1(CN2C=CC=CC2=O)O)CC3=CC=CC=C3.Cl
    InChIKey
    OXILSFMNCPZGAH-UHFFFAOYSA-N
    InChI
    1S/C18H22N2O2.ClH/c21-17-8-4-5-11-20(17)15-18(22)9-12-19(13-10-18)14-16-6-2-1-3-7-16;/h1-8,11,22H,9-10,12-15H2;1H
  7. YL-109
    CAS: 36341-25-0 PubChem CID: 3155228 Formula: C14H11NO2S Molecular Weight: 257.31
    ● In Stock — US warehouse, ships to EU* Item #: Y413544
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    Technical Identifiers
    IUPAC Name
    4-(1,3-benzothiazol-2-yl)-2-methoxyphenol
    SMILES
    COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)O
    InChIKey
    KRVBOHJNAFQFPW-UHFFFAOYSA-N
    InChI
    1S/C14H11NO2S/c1-17-12-8-9(6-7-11(12)16)14-15-10-4-2-3-5-13(10)18-14/h2-8,16H,1H3
    Synonyms
    SCHEMBL1347142 | 2-(4-hydroxy-3-methoxyphenyl)benzo[d]thiazole | STL508923 | SR-01000367893 | trans-N,N?-(Cyclohexane...
  8. YU238259
    CAS: 1943733-16-1 PubChem CID: 121473004 Formula: C22H22ClN3O4S Molecular Weight: 459.95
    ● In Stock — US warehouse, ships to EU* Item #: Y413992
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    Technical Identifiers
    IUPAC Name
    N-[2-(5-chloropyridin-2-yl)ethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
    SMILES
    COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=NC=C(C=C3)Cl
    InChIKey
    BIHURSOREGLQBB-UHFFFAOYSA-N
    InChI
    1S/C22H22ClN3O4S/c1-30-20-8-10-21(11-9-20)31(28,29)26-14-16-2-4-17(5-3-16)22(27)24-13-12-19-7-6-18(23)15-25-19/h2-11,15,26H,12-14H2,1H3,(H,24,27)
    Synonyms
    Benzamide,N-​[2-​(5-​chloro-​2-​pyridinyl)​ethyl]​-​4-​[[[(4-​methoxyphenyl)​sulfonyl]​amino]​methyl]​-
  9. YUM70
    CAS: 423145-35-1 PubChem CID: 3138755 Formula: C21H19ClN2O4 Molecular Weight: 398.84
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: Y423915
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    Technical Identifiers
    IUPAC Name
    N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]butanamide
    SMILES
    CCCC(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl
    InChIKey
    BIQMEYCMAGHOEQ-UHFFFAOYSA-N
    InChI
    1S/C21H19ClN2O4/c1-2-4-18(25)24-19(12-6-7-16-17(9-12)28-11-27-16)14-10-15(22)13-5-3-8-23-20(13)21(14)26/h3,5-10,19,26H,2,4,11H2,1H3,(H,24,25)
    Synonyms
    Butanamide,N-​[1,​3-​benzodioxol-​5-​yl(5-​chloro-​8-​hydroxy-​7-​quinolinyl)​methyl]​-
  10. Z-D-Dap-OH
    CAS: 62234-37-1 Formula: C11H14N2O4 Molecular Weight: 238.24
    ● In Stock — US warehouse, ships to EU* Item #: C304177
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    Technical Identifiers
    IUPAC Name
    (2R)-3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
    SMILES
    C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O
    InChIKey
    FOXRXVSTFGNURG-SECBINFHSA-N
    InChI
    1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)/t9-/m1/s1
    Synonyms
    (R)-3-Amino-2-benzyloxycarbonylamino-propionic acid | (R)-3-Amino-2-Cbz-Aminopropanoic Acid | (R)-3-AMINO-2-(CBZ-AMIN...
  11. Z-DEVD-FMK
    CAS: 210344-95-9 PubChem CID: 16760394 Formula: C30H41FN4O12 Molecular Weight: 668.66
    Liquid 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 #: Z422558
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    Technical Identifiers
    IUPAC Name
    methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxyshow more
    SMILES
    CC(C)C(C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)C(CCC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1
    InChIKey
    GBJVAVGBSGRRKN-JYEBCORGSA-N
    InChI
    1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-1show more
    Synonyms
    N-benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethyl-ketone | SCHEMBL18328791 | L-Valinamide, N-[(phenylme...
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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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