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. Efonidipine, Channel blocker of Ca v3.2
    CAS: 111011-63-3 Formula: C34H38N3O7P Molecular Weight: 631.66
    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 #: E420611
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    IUPAC Name
    2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
    SMILES
    CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5
    InChIKey
    NSVFSAJIGAJDMR-UHFFFAOYSA-N
    InChI
    1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23show more
    Synonyms
    (+/-)-EFONIDIPINE | 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-2,6-dimethyl...
  2. Efonidipine hydrochloride monoethanolate
    CAS: 111011-76-8 EC Number: 692-145-7 Formula: C36H45ClN3O8P Molecular Weight: 714.18
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E420612
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    IUPAC Name
    2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;ethanolshow more
    SMILES
    CCO.CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl
    InChIKey
    IKBJGZQVVVXCEQ-UHFFFAOYSA-N
    InChI
    1S/C34H38N3O7P.C2H6O.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22show more
    Synonyms
    Efonidipine hydrochloride ethanol | NZ 105 ethanolate | EFONIDIPINE HCL MONOETHANOLATE | NZ-105 hydrochloride monoeth...
  3. Eganelisib (IPI-549), PI3-kinase p110-gamma subunit inhibitor
    CAS: 1693758-51-8 EC Number: 864-707-3 Formula: C30H24N8O2 Molecular Weight: 528.56
    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 #: E408883
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    Synonyms
    Pyrazolo[1,​5-​a]​pyrimidine-​3-​carboxamide, 2-​amino-​N-​[(1S)​-​1-​[1,​2-​dihydro-​8-​[2-​(1-​methyl-​1H-​pyrazol-�...
  4. Eliglustat hemitartrate
    CAS: 928659-70-5 PubChem CID: 52918379 Formula: C50H78N4O14 Molecular Weight: 959.17
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E426962
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    IUPAC Name
    N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
    SMILES
    CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    KUBARPMUNHKBIQ-VTHUDJRQSA-N
    InChI
    1S/2C23H36N2O4.C4H6O6/c2*1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h2*10-11,16,19,23show more
    Synonyms
    AC-35333 | Eliglustat tartrate | EMD-IT-3456 | bis(1-((2R,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-(octan...
  5. Elafibranor, Agonist of Peroxisome proliferator-activated receptor-α;Agonist of Peroxisome proliferator-activated receptor-γ
    CAS: 923978-27-2 EC Number: 815-538-9 Formula: C22H24O4S Molecular Weight: 384.49
    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 #: E408744
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    Synonyms
    GFT505 | Propanoic acid, 2-​[2,​6-​dimethyl-​4-​[(1E)​-​3-​[4-​(methylthio)​phenyl]​-​3-​oxo-​1-​propen-​1-​yl]​pheno...
  6. Elagolix sodium salt, Gonadotropin-releasing hormone receptor antagonist
    CAS: 832720-36-2 EC Number: 692-765-8 PubChem CID: 24785956 Formula: C32H29F5N3NaO5 Molecular Weight: 653.582
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E426155
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    IUPAC Name
    sodium;4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]bshow more
    SMILES
    CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NCCCC(=O)[O-])C4=C(C(=CC=C4)OC)F.[Na+]
    InChIKey
    DQYGXRQUFSRDCH-UQIIZPHYSA-M
    InChI
    1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-2show more
    Synonyms
    Tetramethylenester kyseliny methansulfonove | sodium (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoro...
  7. Elbasvir, Nonstructural protein 5A inhibitor
    CAS: 1370468-36-2 EC Number: 806-907-5 Formula: C49H55N9O7 Molecular Weight: 882.02
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421407
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    IUPAC Name
    methyl N-[(2S)-1-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1show more
    SMILES
    CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)N5C(OC6=C(C5=C4)C=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC)C9=CC=CC=C9)NC(=O)OC
    InChIKey
    BVAZQCUMNICBAQ-PZHYSIFUSA-N
    InChI
    1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-show more
    Synonyms
    AKOS030526458 | ELBASVIR [MI] | HY-15789 | Dimethyl ((2S,2'S)-((2S,2'S)-2,2'-(5,5'-((S)-6-phenyl-6H-benzo[5,6][1,3]ox...
  8. Elemicin
    CAS: 487-11-6 Formula: C12H16O3 Molecular Weight: 208.3
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E424224
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    IUPAC Name
    1,2,3-trimethoxy-5-prop-2-enylbenzene
    SMILES
    COC1=CC(=CC(=C1OC)OC)CC=C
    InChIKey
    BPLQKQKXWHCZSS-UHFFFAOYSA-N
    InChI
    1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
    Synonyms
    1,2,3-Trimethoxy-5-[2-propenyl]-benzene | AI3-20815 | MFCD01656688 | Elemicine | CHEBI:4771 | BENZENE, 5-ALLYL-1,2,3-...
  9. Elesclomol (STA-4783)
    CAS: 488832-69-5 Formula: C19H20N4O2S2 Molecular Weight: 400.52
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E408561
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    Synonyms
    N1',N3'-dimethyl-N1',N3'-di(phenylcarbonothioyl)malonohydrazide
  10. Efinaconazole, Lanosterol 14-alpha demethylase inhibitor
    CAS: 164650-44-6 EC Number: 813-597-5 Formula: C18H22F2N4O Molecular Weight: 348.39
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: E413214
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    IUPAC Name
    (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
    SMILES
    CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
    InChIKey
    NFEZZTICAUWDHU-RDTXWAMCSA-N
    InChI
    1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
    Synonyms
    KP103 | KP-103 | NCGC00390702-02 | HY-15660 | CCG-268012 | (2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidine-1-...
  11. Eg5 Inhibitor VII
    CAS: 912953-25-4 Formula: C16H12F3NO Molecular Weight: 291.3
    ● In Stock — US warehouse, ships to EU* Item #: E338226
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    IUPAC Name
    6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
    SMILES
    C1CC(=O)NC2=C1C=C(C=C2)C3=CC=C(C=C3)C(F)(F)F
    InChIKey
    WNVWLPPJRMIRBG-UHFFFAOYSA-N
    InChI
    1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
    Synonyms
    KSP Inhibitor VII | 6-(4-Trifluoromethyl)phenyl)-3,4-dihydro-2(1H)-quinolinone, GSK-1 | 6-(4-(trifluoromethyl)phenyl)...
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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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