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).

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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

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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 (where available)—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. Cyclosporine
    CAS: 79217-60-0 Formula: C62H111N11O12 Molecular Weight: 1202.61
    ● In Stock — US warehouse, ships to EU* Item #: C129997
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    IUPAC Name
    30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,show more
    SMILES
    CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)Cshow more
    InChIKey
    PMATZTZNYRCHOR-KMSBSJHKSA-N
    InChI
    1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(show more
    Synonyms
    30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpr...
  2. Cyclopiazonic acid from Penicillium grisefulvum
    CAS: 18172-33-3 EC Number: 634-041-6 Formula: C20H20N2O3 Molecular Weight: 336.38
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C276576
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    Synonyms
    NSC 117181,(6aS,11aR,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-6a,7,11a,11b-tetrahydro-2H-pyrrolo[1',2':2,3]isoindolo[4...
  3. Luteinizing hormone releasing hormone salmon
    CAS: 86073-88-3 PubChem CID: 16130967 Formula: C60H73N15O13 Molecular Weight: 1212.31
    ● In Stock — US warehouse, ships to EU* Item #: L119001
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    IUPAC Name
    (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]aminshow more
    SMILES
    CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)Nshow more
    InChIKey
    NMJREATYWWNIKX-XJIZABAQSA-N
    InChI
    1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-1show more
    Synonyms
    Glycinamide, 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-tryptophyl-L-leucyl-L-prolyl- | Gnrh, s...
  4. Abemaciclib methanesulfonate
    CAS: 1231930-82-7 EC Number: 812-956-3 PubChem CID: 71576678 Formula: C27H32F2N8.CH4O3S Molecular Weight: 602.7
    ● In Stock — US warehouse, ships to EU* Item #: L124851
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    IUPAC Name
    N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;methanesulfonic acid
    SMILES
    CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F.CS(=O)(=O)O
    InChIKey
    NCJPFQPEVDHJAZ-UHFFFAOYSA-N
    InChI
    1S/C27H32F2N8.CH4O3S/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26;1-5(2,3)4/hshow more
    Synonyms
    2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1...
  5. Abietic acid
    CAS: 514-10-3 EC Number: 208-178-3 Formula: C20H30O2 Molecular Weight: 302.45
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥75%
    ● In Stock — US warehouse, ships to EU* Item #: A107217
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    IUPAC Name
    (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
    SMILES
    CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C
    InChIKey
    RSWGJHLUYNHPMX-ONCXSQPRSA-N
    InChI
    1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
    Synonyms
    (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid | DT...
  6. D-Carnitine
    CAS: 541-14-0 Formula: C7H15NO3 Molecular Weight: 161.2
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: C104549
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    IUPAC Name
    (3S)-3-hydroxy-4-(trimethylazaniumyl)butanoate
    SMILES
    C[N+](C)(C)CC(CC(=O)[O-])O
    InChIKey
    PHIQHXFUZVPYII-LURJTMIESA-N
    InChI
    1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m0/s1
    Synonyms
    (+)-β-Hydroxy-γ-(trimethylammonio)butyrate D(+)-Carnitine 3-Hydroxy-4-(trimethylammonio)butanoate
  7. MK-2048
    CAS: 869901-69-9 Formula: C21H21ClFN5O4 Molecular Weight: 461.87
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: M127457
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    (13S)-5-[(3-chloro-4-fluorophenyl)methyl]-11-ethyl-8-hydroxy-N,13-dimethyl-6,10-dioxo-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-3-cashow more
    SMILES
    CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C
    InChIKey
    JSRREMIKIHJGAA-JTQLQIEISA-N
    InChI
    1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)21(26)32)20(31)27(25-15(16)19(30)24-3)9-11-5-6-13(23)12(22)7-11/h5-7,10,29H,4,8-9H2,1-3H3,(H,24,3show more
    Synonyms
    (6S)-2-((3-Chloro-4-fluorophenyl)methyl)-8-ethyl-1,2,6,7,8,9-hexahydro-10-hydroxy-N,6-dimethyl-1,9-dioxopyrazino(1',2...
  8. Cyclopropane-1,2-dicarboxylic acid
    CAS: 1489-58-3 Formula: C5H6O4 Molecular Weight: 130.1
    ● In Stock — US warehouse, ships to EU* Item #: C332473
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    IUPAC Name
    cyclopropane-1,2-dicarboxylic acid
    SMILES
    C1C(C1C(=O)O)C(=O)O
    InChIKey
    RLWFMZKPPHHHCB-UHFFFAOYSA-N
    InChI
    1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)
    Synonyms
    PB48536 | cyclopropane-1,2-dicarboxylicacid | RLWFMZKPPHHHCB-UHFFFAOYSA-N | cyclopropane-1,2-dicarboxylic acid | SY09...
  9. AR-C155858
    CAS: 496791-37-8 Formula: C21H27N5O5S Molecular Weight: 461.53
    ● In Stock — US warehouse, ships to EU* Item #: A125208
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    IUPAC Name
    6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-dione
    SMILES
    CC1=C(C(=NN1)C)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)CC(C)C)C(=O)N4CC(CO4)O
    InChIKey
    ISIVOJWVBJIOFM-ZDUSSCGKSA-N
    InChI
    1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t1show more
    Synonyms
    AR-C 155858 | AC-35187 | 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4S)-4-hydroxy-1,2-oxazolidine-2-carbonyl]-3-met...
  10. MF63
    CAS: 892549-43-8 Formula: C23H11ClN4 Molecular Weight: 378.81
    ● In Stock — US warehouse, ships to EU* Item #: M127082
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    IUPAC Name
    2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile
    SMILES
    C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N
    InChIKey
    BVFLHOOKHPFDCT-UHFFFAOYSA-N
    InChI
    1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)
    Synonyms
    SCHEMBL1758220 | 2-(6-chloro-3H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile | Q27268842 | HMS3740M07 |...
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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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