By Target / Pathway / Disease

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. EI1, Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit
    CAS: 1418308-27-6 Formula: C23H26N4O2 Molecular Weight: 390.48
    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 #: E421548
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    IUPAC Name
    6-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-pentan-3-ylindole-4-carboxamide
    SMILES
    CCC(CC)N1C=CC2=C(C=C(C=C21)C#N)C(=O)NCC3=C(C=C(NC3=O)C)C
    InChIKey
    PFHDWRIVDDIFRP-UHFFFAOYSA-N
    InChI
    1S/C23H26N4O2/c1-5-17(6-2)27-8-7-18-19(10-16(12-24)11-21(18)27)22(28)25-13-20-14(3)9-15(4)26-23(20)29/h7-11,17H,5-6,13H2,1-4H3,(H,25,28)(H,26,29)
    Synonyms
    6-cyano-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-1-(pentan-3-yl)-1H-indole-4-carboxamide | NCGC00351776...
  2. EC 144
    CAS: 911397-80-3 Formula: C21H24ClN5O2 Molecular Weight: 413.9
    ◐ .Made to order · 8–12 wks Item #: E286538
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    IUPAC Name
    5-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpent-4-yn-2-ol
    SMILES
    CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)C#CCC(C)(C)O
    InChIKey
    VOASEWXFCTZRDF-UHFFFAOYSA-N
    InChI
    1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
    Synonyms
    5-[2-Amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-methyl-4-pentyn...
  3. EED226
    CAS: 2083627-02-3 Formula: C17H15N5O3S Molecular Weight: 369.4
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422525
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    IUPAC Name
    N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
    SMILES
    CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4
    InChIKey
    DYIRSNMPIZZNBK-UHFFFAOYSA-N
    InChI
    1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
    Synonyms
    N-(2-Furanylmethyl)-8-[4-(methylsulfonyl)phenyl]-1,2,4-triazolo[4,3-c]pyrimidin-5-amine | 1,​2,​4-​Triazolo[4,​3-​c]​...
  4. EGFR inhibitor, Inhibitor of epidermal growth factor receptor
    CAS: 879127-07-8 Formula: C21H18F3N5O Molecular Weight: 413.4
    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 #: E426643
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    IUPAC Name
    N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
    SMILES
    C1CC1C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)NC4=CC=CC(=C4)C(F)(F)F
    InChIKey
    YOHYSYJDKVYCJI-UHFFFAOYSA-N
    InChI
    1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28show more
    Synonyms
    K00598a | AKOS000120473 | EGFR inhibitor(YUN27078) | EGFR Inhibitor [879127-07-8] | EGFR Inhibitor - CAS 879127-07-8 ...
  5. ELR-510444
    CAS: 1233948-35-0 Formula: C19H16N2O2S2 Molecular Weight: 368.47
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421012
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    IUPAC Name
    N-[5-(5-cyanothiophen-2-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C3=CC=C(S3)C#N)C
    InChIKey
    GRYXROIHHXHFND-UHFFFAOYSA-N
    InChI
    1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3
    Synonyms
    Benzenesulfonamide,N-​[5-​(5-​cyano-​2-​thienyl)​-​2-​methylphenyl]​-​4-​methyl-
  6. EMD638683, Inhibitor of serum/glucocorticoid regulated kinase 1
    CAS: 1181770-72-8 Formula: C18H18F2N2O4 Molecular Weight: 364.34
    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 #: E420805
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    IUPAC Name
    N'-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-ethyl-4-hydroxy-3-methylbenzohydrazide
    SMILES
    CCC1=C(C=CC(=C1C)O)C(=O)NNC(=O)C(C2=CC(=CC(=C2)F)F)O
    InChIKey
    SSNAPUUWBPZGOY-UHFFFAOYSA-N
    InChI
    1S/C18H18F2N2O4/c1-3-13-9(2)15(23)5-4-14(13)17(25)21-22-18(26)16(24)10-6-11(19)8-12(20)7-10/h4-8,16,23-24H,3H2,1-2H3,(H,21,25)(H,22,26)
    Synonyms
    A925647 | Z3247511913 | BCP29409 | EMD 638683; EMD-638683 | C18H18F2N2O4 | HY-15193 | 1181770-72-8 | 2-(3,5-DIFLUOROP...
  7. EN4
    CAS: 1197824-15-9 Formula: C25H24N2O4 Molecular Weight: 416.47
    ● In Stock — US warehouse, ships to EU* Item #: E414489
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    IUPAC Name
    N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
    SMILES
    CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
    InChIKey
    DKOWGKKELPCHEG-UHFFFAOYSA-N
    InChI
    1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
    Synonyms
    MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide,n-(2-(4-ethoxyphenoxy)phe...
  8. EN4
    CAS: 1197824-15-9 EC Number: 860-739-7 Formula: C25H24N2O4 Molecular Weight: 416.47
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E420873
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    Technical Identifiers
    IUPAC Name
    N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide
    SMILES
    CCOC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)CNC(=O)C=C
    InChIKey
    DKOWGKKELPCHEG-UHFFFAOYSA-N
    InChI
    1S/C25H24N2O4/c1-3-24(28)26-17-18-9-11-19(12-10-18)25(29)27-22-7-5-6-8-23(22)31-21-15-13-20(14-16-21)30-4-2/h3,5-16H,1,4,17H2,2H3,(H,26,28)(H,27,29)
    Synonyms
    MS-27247 | N-[2-(4-ethoxyphenoxy)phenyl]-4-[(prop-2-enoylamino)methyl]benzamide | benzamide,n-(2-(4-ethoxyphenoxy)phe...
  9. EN6
    CAS: 1808714-73-9 Formula: C19H14F2N4O2 Molecular Weight: 368.34
    ● In Stock — US warehouse, ships to EU* Item #: E413569
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    IUPAC Name
    1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
    SMILES
    C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F
    InChIKey
    SUSXQEYPNDORDQ-UHFFFAOYSA-N
    InChI
    1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)
    Synonyms
    BS-15697 | SCHEMBL21393135 | ZB1625 | EN300-1720461 | AC-36359 | Z1410267069 | AKOS037648810 | EN6 | EN-6 | ABM-4739 ...
  10. EOAI3402143
    CAS: 1699750-95-2 Formula: C25H28Cl2N4O3 Molecular Weight: 503.42
    ● In Stock — US warehouse, ships to EU* Item #: E413664
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    IUPAC Name
    (E)-2-cyano-3-(3,6-dichloropyridin-2-yl)-N-[1-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]prop-2-enamide
    SMILES
    CCCC(C1=CC=C(C=C1)OCCN2CCOCC2)NC(=O)C(=CC3=C(C=CC(=N3)Cl)Cl)C#N
    InChIKey
    IIKVQQNZHGBYGQ-KNTRCKAVSA-N
    InChI
    1S/C25H28Cl2N4O3/c1-2-3-22(30-25(32)19(17-28)16-23-21(26)8-9-24(27)29-23)18-4-6-20(7-5-18)34-15-12-31-10-13-33-14-11-31/h4-9,16,22H,2-3,10-15H2,1H3,(Hshow more
    Synonyms
    2-​Propenamide,2-​cyano-​3-​(3,​6-​dichloro-​2-​pyridinyl)​-​N-​[1-​[4-​[2-​(4-​morpholinyl)​ethoxy]​phenyl]​butyl]​-�...
  11. EPZ011989
    CAS: 2095432-26-9 Formula: C35H51N5O4·HCl Molecular Weight: 642.27
    ◐ .Made to order · 8–12 wks Item #: E413837
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    Technical Identifiers
    Synonyms
    N-​[(1,​2-​dihydro-​4,​6-​dimethyl-​2-​oxo-​3-​pyridinyl)​methyl]​-​3-​[ethyl[trans-​4-​[(2-​methoxyethyl)​methylamino]...
  12. EPZ020411 2HCl
    CAS: 2070015-25-5 PubChem CID: 119081410 Formula: C25H40Cl2N4O3 Molecular Weight: 515.52
    ● In Stock — US warehouse, ships to EU* Item #: E413843
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    IUPAC Name
    N,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;hydrochloride
    SMILES
    CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4.Cl
    InChIKey
    LIDZHJMYAKPGOJ-UHFFFAOYSA-N
    InChI
    1S/C25H38N4O3.ClH/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19;/h3-6,17,19,23-24,26H,7-16,18H2,show more
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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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