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. ENMD-2076 Tartrate
    CAS: 1453868-32-0 PubChem CID: 24776050 Formula: C25H31N7O6 Molecular Weight: 525.56
    ◐ Made to order · 8–12 wks Item #: E649120
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    Technical Identifiers
    IUPAC Name
    (2R,3R)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
    SMILES
    CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    KGWWHPZQLVVAPT-STTJLUEPSA-N
    InChI
    1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-show more
    Synonyms
    L-(+) Tartrate salt of ENMD-981693|ENMD-2076 tartrate|(2R,3R)-2,3-dihydroxybutanedioic acid;6-(4-methylpiperazin-1-y...
  2. Perzinfotel, Glutamate [NMDA] receptor antagonist
    CAS: 144912-63-0 PubChem CID: 6918236 Formula: C9H13N2O5P Molecular Weight: 260.18
    ◐ Made to order · 8–12 wks Item #: P648963
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    IUPAC Name
    2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid
    SMILES
    C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O
    InChIKey
    BDABGOLMYNHHTR-UHFFFAOYSA-N
    InChI
    1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)
    Synonyms
    EAA-090|2-(dioxo-2,6-diazabicyclo(5.2.0)non-ethyl) phosphonic acid|Perzinfotel (USAN/INN)|DHP, Dicetyl phosphate|EAA ...
  3. Desmorpholinyl Navitoclax-NH-Me
    CAS: 2365172-82-1 PubChem CID: 139331525 Formula: C44H51ClF3N5O5S3 Molecular Weight: 918.55
    ◐ Made to order · 8–12 wks Item #: D648962
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    IUPAC Name
    4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(methylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluorshow more
    SMILES
    CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCNC)CSC5=CC=CC=C5)S(=O)(=O)C(F)(F)F)C6=CC=C(C=C6)Cl)C
    InChIKey
    CNTHZPROCQHGOX-PGUFJCEWSA-N
    InChI
    1S/C44H51ClF3N5O5S3/c1-43(2)21-19-39(31-9-13-34(45)14-10-31)33(28-43)29-52-23-25-53(26-24-52)36-15-11-32(12-16-36)42(54)51-61(57,58)38-17-18-40(41(27-show more
  4. GSK376501A
    CAS: 1010412-80-2 PubChem CID: 24946920 Formula: C32H37NO6 Molecular Weight: 531.64
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: G649078
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    IUPAC Name
    1-[[3,5-bis(2-methoxyethoxy)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid
    SMILES
    CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC(=C4)OCCOC)OCCOC)C(=O)O
    InChIKey
    OIDYMQICWGYEDR-UHFFFAOYSA-N
    InChI
    1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-show more
    Synonyms
    GSK376501|GSK-376501|1-[[3,5-bis(2-methoxyethoxy)phenyl]methyl]-3-(4-tert-butylphenyl)indole-2-carboxylic acid|GSK376...
  5. Kynuramine dihydrochloride
    CAS: 36681-58-0 EC Number: 855-793-3 PubChem CID: 12954979 Formula: C9H14Cl2N2O Molecular Weight: 237.13
    ◐ Made to order · 8–12 wks Item #: K648953
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    IUPAC Name
    3-amino-1-(2-aminophenyl)propan-1-one;dihydrochloride
    SMILES
    C1=CC=C(C(=C1)C(=O)CCN)N.Cl.Cl
    InChIKey
    GIUIHRRGPBPUAO-UHFFFAOYSA-N
    InChI
    1S/C9H12N2O.2ClH/c10-6-5-9(12)7-3-1-2-4-8(7)11;;/h1-4H,5-6,10-11H2;2*1H
    Synonyms
    3-amino-1-(2-aminophenyl)propan-1-one;dihydrochloride|3-amino-1-(2-aminophenyl)propan-1-one dihydrochloride|3-amino-1...
  6. Silvestrol aglycone
    CAS: 960365-65-5 PubChem CID: 24178739 Formula: C27H26O8 Molecular Weight: 478.49
    ◐ Made to order · 8–12 wks Item #: S648945
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    Technical Identifiers
    SMILES
    COC1=CC=C(C=C1)[C@]23[C@@H]([C@H]([C@H]([C@]2(C4=C(O3)C=C(C=C4OC)O)O)O)C(=O)OC)C5=CC=CC=C5
  7. Ilginatinib hydrochloride
    CAS: 1239358-85-0 PubChem CID: 89571724 Formula: C21H21ClFN7 Molecular Weight: 425.89
    ◐ Made to order · 8–12 wks Item #: I649125
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    Technical Identifiers
    IUPAC Name
    6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1-methylpyrazol-4-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine;hydrochloride
    SMILES
    CC(C1=CC=C(C=C1)F)NC2=CC(=CC(=N2)NC3=NC=CN=C3)C4=CN(N=C4)C.Cl
    InChIKey
    XFNVGPXGVAXXSH-UQKRIMTDSA-N
    InChI
    1S/C21H20FN7.ClH/c1-14(15-3-5-18(22)6-4-15)26-19-9-16(17-11-25-29(2)13-17)10-20(27-19)28-21-12-23-7-8-24-21;/h3-14H,1-2H3,(H2,24,26,27,28);1H/t14-;/m0show more
  8. Temoporfin
    CAS: 122341-38-2 PubChem CID: 60751 Formula: C44H32N4O4 Molecular Weight: 680.75
    ◐ Made to order · 8–12 wks Item #: T648930
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    IUPAC Name
    3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol
    SMILES
    C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O
    InChIKey
    LYPFDBRUNKHDGX-UHFFFAOYSA-N
    InChI
    1S/C44H32N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-1show more
    Synonyms
    3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol|TEMOPORFIN [EMA EPAR]|meso-Tetrahydroxyph...
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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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