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. B02
    CAS: 1290541-46-6 EC Number: 802-984-4 Formula: C22H17N3O Molecular Weight: 339.39
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B421153
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    Technical Identifiers
    IUPAC Name
    3-benzyl-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
    SMILES
    C1=CC=C(C=C1)CN2C(=NC3=CC=CC=C3C2=O)C=CC4=CN=CC=C4
    InChIKey
    GEKDQXSPTHHANP-OUKQBFOZSA-N
    InChI
    1S/C22H17N3O/c26-22-19-10-4-5-11-20(19)24-21(13-12-17-9-6-14-23-15-17)25(22)16-18-7-2-1-3-8-18/h1-15H,16H2/b13-12+
    Synonyms
    cid_5738263 | RAD51 inhibitor B02 | B02; B-02; B 02; RAD51-IN-02 | SR-01000722866 | s8434 | BDBM48804 | RAD51 Inhibit...
  2. B355252
    CAS: 1261576-81-1 EC Number: 808-357-1 Formula: C25H24ClN3O3S2 Molecular Weight: 514.06
    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 #: B412936
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    IUPAC Name
    4-chloro-N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
    SMILES
    C1CN(CCN1)C2=CC(=CC=C2)OC3=C(C=C(S3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)Cl
    InChIKey
    YAAVQYDOVJQDFZ-UHFFFAOYSA-N
    InChI
    1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-1show more
    Synonyms
    4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide | B-355252
  3. BAM7
    CAS: 331244-89-4 PubChem CID: 3101542 Formula: C21H19N5O2S Molecular Weight: 405.47
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B423388
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    IUPAC Name
    4-[(2-ethoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
    SMILES
    CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C
    InChIKey
    WRLVHADVOGFZOZ-UHFFFAOYSA-N
    InChI
    1S/C21H19N5O2S/c1-3-28-18-12-8-7-11-16(18)23-24-19-14(2)25-26(20(19)27)21-22-17(13-29-21)15-9-5-4-6-10-15/h4-13,25H,3H2,1-2H3
    Synonyms
    (E)-4-(2-(2-Ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenylthiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one | s7105 | S...
  4. Azilsartan, Type-1 angiotensin II receptor antagonist
    CAS: 147403-03-0 EC Number: 808-058-6 Formula: C25H20N4O5 Molecular Weight: 456.45
    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 #: A408730
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    Synonyms
    TAK-536 | 1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]met...
  5. Azilsartan Medoxomil
    CAS: 863031-21-4 Formula: C30H24N4O8 Molecular Weight: 568.55
    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 #: A409153
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    Synonyms
    TAK-491 | 1H-Benzimidazole-7-carboxylic acid, 1-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]met...
  6. BAM 15
    CAS: 210302-17-3 Formula: C16H10F2N6O Molecular Weight: 340.29
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B422557
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    IUPAC Name
    5-N,6-N-bis(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
    SMILES
    C1=CC=C(C(=C1)NC2=NC3=NON=C3N=C2NC4=CC=CC=C4F)F
    InChIKey
    OEGJBRZAJRPPHL-UHFFFAOYSA-N
    InChI
    1S/C16H10F2N6O/c17-9-5-1-3-7-11(9)19-13-14(20-12-8-4-2-6-10(12)18)22-16-15(21-13)23-25-24-16/h1-8H,(H,19,21,23)(H,20,22,24)
    Synonyms
    N5,N6-bis(2-Fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
  7. BAY 1436032, Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor
    CAS: 1803274-65-8 Formula: C26H30F3N3O3 Molecular Weight: 489.53
    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 #: B414041
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    Technical Identifiers
    IUPAC Name
    3-[2-[4-(trifluoromethoxy)anilino]-1-[(1R,5R)-3,3,5-trimethylcyclohexyl]benzimidazol-5-yl]propanoic acid
    SMILES
    CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F
    InChIKey
    RNMAUIMMNAHKQR-QFBILLFUSA-N
    InChI
    1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12show more
    Synonyms
    BAY-1436032 | US10344004, Test compound Table 3 | SCHEMBL17009632 | BAY 1436032 | s8530 | 3-(2-((4-(trifluoromethoxy)...
  8. BAY-1816032
    CAS: 1891087-61-8 Formula: C27H24F2N6O4 Molecular Weight: 534.51
    ● In Stock — US warehouse, ships to EU* Item #: B414286
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    IUPAC Name
    2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
    SMILES
    COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F
    InChIKey
    QVOGVAVHOLLLAZ-UHFFFAOYSA-N
    InChI
    1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14show more
    Synonyms
    2-[3,5-bis(fluoranyl)-4-[[3-[5-methoxy-4-[(3-methoxypyridin-4-yl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]eth...
  9. BAY-218
    CAS: 2162982-11-6 Formula: C2OH17ClFN3O3 Molecular Weight: 401.82
    ● In Stock — US warehouse, ships to EU* Item #: B414214
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    IUPAC Name
    6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-oxopyridazine-4-carboxamide
    SMILES
    CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CC(=CC=C2)F)C3=CC=C(C=C3)Cl
    InChIKey
    RFGRNBWAUZSMBN-LBPRGKRZSA-N
    InChI
    1S/C20H17ClFN3O3/c1-12(11-26)23-19(27)17-10-18(13-5-7-14(21)8-6-13)24-25(20(17)28)16-4-2-3-15(22)9-16/h2-10,12,26H,11H2,1H3,(H,23,27)/t12-/m0/s1
    Synonyms
    AHR antagonist 1 | 6-(4-Chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-hydroxy-2-propanyl]-3-oxo-2,3-dihydro-4-pyridazine...
  10. BCH001
    CAS: 384859-58-9 Formula: C2OH15F3N2O5 Molecular Weight: 420.34
    ● In Stock — US warehouse, ships to EU* Item #: B414306
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    IUPAC Name
    2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid
    SMILES
    CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC=C3C(=O)O)OC(F)(F)F
    InChIKey
    FWJMVZAVAUGMDX-UHFFFAOYSA-N
    InChI
    1S/C20H15F3N2O5/c1-2-29-19(28)14-10-24-15-8-7-11(30-20(21,22)23)9-13(15)17(14)25-16-6-4-3-5-12(16)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
    Synonyms
    3-​Quinolinecarboxylic acid,4-​[(2-​carboxyphenyl)​amino]​-​6-​(trifluoromethoxy)​-​,3-​ethyl ester
  11. BCI
    CAS: 1245792-51-1 Formula: C22H23NO Molecular Weight: 317.42
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: B412799
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    Technical Identifiers
    IUPAC Name
    (2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
    SMILES
    C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4
    InChIKey
    XJDKPLZUXCIMIS-HMMYKYKNSA-N
    InChI
    1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15+
    Synonyms
    (E)-BCI
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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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