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. Emodepside
    CAS: 155030-63-0 Formula: C60H90N6O14 Molecular Weight: 1119.39
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421847
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    Technical Identifiers
    IUPAC Name
    (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetrashow more
    SMILES
    CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(Cshow more
    InChIKey
    ZMQMTKVVAMWKNY-YSXLEBCMSA-N
    InChI
    1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)show more
    Synonyms
    Emodepside|155030-63-0|Bay-44-4400|Emodepside [INN]|emodepsida|emodepsidum|UNII-YZ647Y5GC9|BAY 44-4400|YZ647Y5GC9|CHE...
  2. Emodepside
    CAS: 155030-63-0 EC Number: 604-993-7 Formula: C60H90N6O14 Molecular Weight: 1119.39
    ● In Stock — US warehouse, ships to EU* Item #: E412404
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    Technical Identifiers
    IUPAC Name
    (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetrashow more
    SMILES
    CC1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(Cshow more
    InChIKey
    ZMQMTKVVAMWKNY-YSXLEBCMSA-N
    InChI
    1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)show more
    Synonyms
    EMODEPSIDE COMPONENT OF PROCOX | NCGC00507682-01 | 4,6,10,16,18,22-Hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,2...
  3. Emodin
    CAS: 518-82-1 EC Number: 208-258-8 Formula: C15H10O5 Molecular Weight: 270.24
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E409173
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    Synonyms
    1,3,8-Trihydroxy-6-methylanthraquinone
  4. Emricasan (IDN-6556), Caspase inhibitor
    CAS: 254750-02-2 Formula: C26H27F4N3O7 Molecular Weight: 569.51
    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 #: E409139
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    Synonyms
    PF 03491390, PF-03491390 | L-​Alaninamide, N-​[2-​(1,​1-​dimethylethyl)​phenyl]​-​2-​oxoglycyl-​N-​[(1S)​-​1-​(carbox...
  5. Endoxifen E-isomer hydrochloride
    CAS: 1197194-61-8 Formula: C25H28ClNO2 Molecular Weight: 409.95
    ● In Stock — US warehouse, ships to EU* Item #: E412500
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    IUPAC Name
    4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
    SMILES
    CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3.Cl
    InChIKey
    RPFIMPDXTABYCN-QREUMGABSA-N
    InChI
    1S/C25H27NO2.ClH/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2;/h4-16,26-27H,3,17-18H2,1-2H3;1H/b25-24+;
    Synonyms
    XXB19461 | 4-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride | EX-A1161 | Endoxifen ...
  6. Ellipticine hydrochloride
    CAS: 5081-48-1 Formula: C17H15ClN2 Molecular Weight: 282.77
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E424370
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    IUPAC Name
    5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride
    SMILES
    CC1=C2C=CN=CC2=C(C3=C1NC4=CC=CC=C43)C.Cl
    InChIKey
    VSBNVARERCGCEF-UHFFFAOYSA-N
    InChI
    1S/C17H14N2.ClH/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17;/h3-9,19H,1-2H3;1H
    Synonyms
    Q27254611 | 5,11-dimethyl-6H-pyrido[4,3-b]carbazole;hydrochloride | BS-17160 | NSC71795 hydrochloride | D71154 | 5,11...
  7. Elubiol
    CAS: 67914-69-6 Formula: C27H30Cl2N4O5 Molecular Weight: 561.46
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: E425411
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    Technical Identifiers
    IUPAC Name
    ethyl 4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-1-carboxylate
    SMILES
    CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    InChIKey
    VEVFSWCSRVJBSM-HOFKKMOUSA-N
    InChI
    1S/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,show more
    Synonyms
    D71061 | SCHEMBL14879570 | Elubiol | Q27275862 | DTXSID901019176 | 1-Piperazinecarboxylic acid, 4-(4-((2-(2,4-dichlor...
  8. Elvitegravir (JTK-303), Human immunodeficiency virus type 1 integrase inhibitor
    CAS: 697761-98-1 EC Number: 691-248-4 Formula: C23H23ClFNO5 Molecular Weight: 447.88
    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 #: E408975
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    Synonyms
    GS-9137 | (S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-car...
  9. Enalaprilat Dihydrate, Angiotensin-converting enzyme inhibitor
    CAS: 84680-54-6 EC Number: 689-724-1 PubChem CID: 6917719 Formula: C18H24N2O5·2H2O Molecular Weight: 348.42
    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 #: E408639
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    Technical Identifiers
    Synonyms
    MK-422 Dihydrate | N-​[(1S)​-​1-​carboxy-​3-​phenylpropyl]​-​L-​alanyl-L-​proline, hydrate (1:2)
  10. Enasidenib Mesylate, Isocitrate dehydrogenase [NADP], mitochondrial inhibitor
    CAS: 1650550-25-6 Formula: C20H21F6N7O4S Molecular Weight: 569.48
    ● In Stock — US warehouse, ships to EU* Item #: E413196
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    IUPAC Name
    methanesulfonic acid;2-methyl-1-[[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol
    SMILES
    CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O.CS(=O)(=O)O
    InChIKey
    ORZHZQZYWXEDDL-UHFFFAOYSA-N
    InChI
    1S/C19H17F6N7O.CH4O3S/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;1-5(2,3)4/h3-8,33H,9H2,1-2H3show more
    Synonyms
    HY-18690A | D11044 | Enasidenib mesylate | ENASIDENIB MESYLATE [WHO-DD] | ORZHZQZYWXEDDL-UHFFFAOYSA-N | Enasidenib me...
  11. Encequidar (HM30181), P-glycoprotein 1 inhibitor
    CAS: 849675-66-7 Formula: C38H36N6O7 Molecular Weight: 688.73
    ● In Stock — US warehouse, ships to EU* Item #: E412938
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    Technical Identifiers
    IUPAC Name
    N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
    SMILES
    COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N4N=C(N=N4)C5=CC(=C(C=C5NC(=O)C6=CC(=O)C7=CC=CC=C7O6)OC)OC)OC
    InChIKey
    AHJUHHDDCJQACA-UHFFFAOYSA-N
    InChI
    1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21show more
    Synonyms
    HM 30181A | 4H-1-BENZOPYRAN-2-CARBOXAMIDE, N-(2-(2-(4-(2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL)PHENYL)...
  12. Emtricitabine (BW 1592), Human immunodeficiency virus type 1 reverse transcriptase inhibitor
    CAS: 143491-57-0 EC Number: 604-363-1 Formula: C8H10FN3O3S Molecular Weight: 247.25
    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 #: E408866
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    Technical Identifiers
    Synonyms
    FTC | 4-​amino-​5-​fluoro-​1-​[(2R,​5S)​-​2-​(hydroxymethyl)​-​1,​3-​oxathiolan-​5-​yl]​-2(1H)​-​pyrimidinone
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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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