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 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 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. Casein Kinase II Inhibitor IV
    CAS: 863598-09-8 Formula: C24H23N5O3 Molecular Weight: 429.5
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US Item #: K336616
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    Technical Identifiers
    IUPAC Name
    3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanenitrile
    SMILES
    COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=CC(=C4)CCC#N
    InChIKey
    KKVZKYOBQGDKIB-UHFFFAOYSA-N
    InChI
    1S/C24H23N5O3/c1-30-20-13-18(14-21(31-2)22(20)32-3)27-24-26-15-17-9-11-29(23(17)28-24)19-8-4-6-16(12-19)7-5-10-25/h4,6,8-9,11-15H,5,7H2,1-3H3,(H,26,27show more
    Synonyms
    WS-02510 | 3-(3-(2-(3,4,5-trimethoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)propanenitrile | HY-111378 | ...
  2. Nialamide-d4
    CAS: 51-12-7(unlabeled) Formula: C₁₆H₁₄D₄N₄O₂ Molecular Weight: 302.36
    ● In Stock — US Item #: N349050
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    Synonyms
    Nyezin-d4 | Niamid-d4 | Niamide-d4 | 2-[2-(Benzylcarbamoyl)ethyl]hydrazide Isonicotinic-d4 Acid, 1-[2-(Benzylcarbamoy...
  3. cis-2-Amino-2-methyl-cyclopentanecarboxylic acid
    CAS: 756450-21-2 PubChem CID: 17039349 Formula: C7H13NO2 Molecular Weight: 143.18
    ● In Stock — US Item #: C348320
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    Technical Identifiers
    IUPAC Name
    (1S,2R)-2-amino-2-methylcyclopentane-1-carboxylic acid
    SMILES
    CC1(CCCC1C(=O)O)N
    InChIKey
    CHGRKLOXTORQLJ-IYSWYEEDSA-N
    InChI
    1S/C7H13NO2/c1-7(8)4-2-3-5(7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7-/m1/s1
    Synonyms
    (1R,2S)-Rel-2-Amino-2-Methyl-Cyclopentanecarboxylic Acid | 2-Amino-2-Methyl-Cyclopentanecarboxylic Acid
  4. Daminozide Solution in Methanol
    CAS: 1596-84-5 EC Number: 216-485-9 Formula: C6H12N2O3 Molecular Weight: 160.17
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 100μg/mL in Methanol,Uncertainty:3%
    ◐ .Made to order · 8–12 wks Item #: BWY396891
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  5. NPEC-caged-dopamine
    CAS: 1257326-23-0 Formula: C17H18N2O6 Molecular Weight: 346.33
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(HPLC)
    ◐ .Made to order · 8–12 wks Item #: N287500
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    IUPAC Name
    1-(2-nitrophenyl)ethyl N-[2-(3,4-dihydroxyphenyl)ethyl]carbamate
    SMILES
    CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NCCC2=CC(=C(C=C2)O)O
    InChIKey
    PDNNZLULXSQJGZ-UHFFFAOYSA-N
    InChI
    1S/C17H18N2O6/c1-11(13-4-2-3-5-14(13)19(23)24)25-17(22)18-9-8-12-6-7-15(20)16(21)10-12/h2-7,10-11,20-21H,8-9H2,1H3,(H,18,22)
    Synonyms
    (N)-1-(2-Nitrophenyl)ethylcarboxy-3,4-dihydroxyphenethylamine
  6. O-2050
    CAS: 1883545-42-3 Formula: C23H31NO4S Molecular Weight: 417.56
    ◐ .Made to order · 8–12 wks Item #: O287234
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    IUPAC Name
    N-[6-(1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl)hex-4-ynyl]methanesulfonamide
    SMILES
    CC1=CCC2C(C1)C3=C(C=C(C=C3OC2(C)C)CC#CCCCNS(=O)(=O)C)O
    InChIKey
    DJTGGIYZQHHLGJ-UHFFFAOYSA-N
    InChI
    1S/C23H31NO4S/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-6-8-12-24-29(4,26)27/h10,14-15,18-19,24-25H,6,8-9,11-13H2,1-4H3
    Synonyms
    (6aR,10aR)-1-Hydroxy-3-(1-Methanesulfonylamino-4-hexyn-6-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
  7. 2-Amino-3,7,8-trimethyl-3H-imidazo[4,5-f]quinoxaline
    CAS: 92180-79-5 Formula: C12H13N5 Molecular Weight: 227.26
    ● In Stock — US Item #: A331376
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    IUPAC Name
    3,7,8-trimethylimidazo[4,5-f]quinoxalin-2-amine
    SMILES
    CC1=C(N=C2C(=N1)C=CC3=C2N=C(N3C)N)C
    InChIKey
    JFQHIQJNQCWLNR-UHFFFAOYSA-N
    InChI
    1S/C12H13N5/c1-6-7(2)15-10-8(14-6)4-5-9-11(10)16-12(13)17(9)3/h4-5H,1-3H3,(H2,13,16)
    Synonyms
    3H-Imidazo(4,5-f)quinoxalin-2-amine, 3,7,8-trimethyl-, (R)- | UNII-691747VC8D | MFCD00269905 | ATMIQ | 7-Methyl meiqx...
  8. Pyridoxal isonicotinoyl hydrazone (PIH)
    CAS: 737-86-0 PubChem CID: 135409539 Formula: C14H14N4O3 Molecular Weight: 286.29
    ◐ .Made to order · 8–12 wks Item #: P275641
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    IUPAC Name
    N-[(E)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]pyridine-4-carboxamide
    SMILES
    CC1=NC=C(C(=C1O)C=NNC(=O)C2=CC=NC=C2)CO
    InChIKey
    BQYIXOPJPLGCRZ-REZTVBANSA-N
    InChI
    1S/C14H14N4O3/c1-9-13(20)12(11(8-19)6-16-9)7-17-18-14(21)10-2-4-15-5-3-10/h2-7,19-20H,8H2,1H3,(H,18,21)/b17-7+
    Synonyms
    Pyridoxal isonicotinoyl hydrazone, (E)- | BRN 3685006 | 4-Pyridinecarboxylic acid, ((3-hydroxy-5-(hydroxymethyl)-2-me...
  9. Nociceptin (1-7) (Orphanin FQ (1-7))
    CAS: 178249-42-8 PubChem CID: 71353398 Formula: C31H41N7O9 Molecular Weight: 655.71
    ● In Stock — US Item #: N274724
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    Technical Identifiers
    IUPAC Name
    (2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]ashow more
    SMILES
    CC(C(C(=O)NCC(=O)NC(C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N)O
    InChIKey
    KVTLKXLQUDUFSD-FLSSTNBBSA-N
    InChI
    1S/C31H41N7O9/c1-18(31(46)47)36-25(41)17-35-30(45)27(19(2)39)38-29(44)23(14-21-11-7-4-8-12-21)37-26(42)16-33-24(40)15-34-28(43)22(32)13-20-9-5-3-6-10-show more
    Synonyms
    PD070884 | AKOS024456501 | L-Alanine, L-phenylalanylglycylglycyl-L-phenylalanyl-L-threonylglycyl- | DTXSID30778144 | ...
  10. 4-(α-Methylbenzyl)resorcinol
    CAS: 85-27-8 EC Number: 480-070-0 Formula: C14H14O2 Molecular Weight: 214.26
    Solid ≥98%
    ● In Stock — US Item #: A151539
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    IUPAC Name
    4-(1-phenylethyl)benzene-1,3-diol
    SMILES
    CC(C1=CC=CC=C1)C2=C(C=C(C=C2)O)O
    InChIKey
    PQSXNIMHIHYFEE-UHFFFAOYSA-N
    InChI
    1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3
    Synonyms
    HY-125809 | M2754 | Symwhite 377 (Phenyl Ethyl Resorcinol) | 4-(1-phenylethyl)benzene-1,3-diol | DB14120 | DTXSID5010...
  11. (+)-Igmesine hydrochloride
    CAS: 130152-35-1 Formula: C23H29N•HCl Molecular Weight: 355.94
    ◐ .Made to order · 8–12 wks Item #: I288032
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    IUPAC Name
    (E)-N-(cyclopropylmethyl)-N-methyl-3,6-diphenylhex-5-en-3-amine;hydrochloride
    SMILES
    CCC(CC=CC1=CC=CC=C1)(C2=CC=CC=C2)N(C)CC3CC3.Cl
    InChIKey
    SCHQQPAJNUHKSV-RSGUCCNWSA-N
    InChI
    1S/C23H29N.ClH/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20;/h4-15,21H,3,16-19H2,1-2H3;1H/b13-10+;
    Synonyms
    (E)-(+)-N-(Cyclopropylmethyl)-alpha-ethyl-N-methyl-alpha-(3-phenyl-2-propenyl)-benzenemethanamine Hydrochlor | Igmesi...
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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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