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. Onjisaponin B
    CAS: 35906-36-6 PubChem CID: 21669942 Formula: C75H112O35 Molecular Weight: 1573.7
    ◐ Made to order · 8–12 wks Item #: O648946
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    Technical Identifiers
    IUPAC Name
    (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxyshow more
    SMILES
    CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)CO)(CCC1C9(CC(C(C1(C)C(=O)O)OC1Cshow more
    InChIKey
    QSTBHNPMHXYCII-KJCIHCEPSA-N
    InChI
    1S/C75H112O35/c1-30-44(81)48(85)53(90)63(99-30)107-59-58(105-43(80)17-12-33-10-13-34(97-9)14-11-33)32(3)101-67(60(59)108-64-56(93)51(88)57(31(2)100-64show more
  2. Bocidelpar
    CAS: 2095128-20-2 PubChem CID: 126752383 Formula: C25H27F3N2O3 Molecular Weight: 460.49
    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 #: B648929
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    Synonyms
    (R)-3-Methyl-6-(2-((5-methyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)methyl)phenoxy)hexanoic acid|ASP0367|SP-0367
  3. Hederasaponin B
    CAS: 36284-77-2 PubChem CID: 21626480 Formula: C59H96O25 Molecular Weight: 1205.4
    ◐ Made to order · 8–12 wks Item #: H648971
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    Technical Identifiers
    IUPAC Name
    [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-show more
    SMILES
    CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)show more
    InChIKey
    NVSLBOBPSCMMSO-BVLVEXITSA-N
    InChI
    1S/C59H96O25/c1-24-34(62)38(66)42(70)49(77-24)82-46-29(21-60)79-48(45(73)41(46)69)76-23-30-37(65)40(68)44(72)51(80-30)84-53(74)59-18-16-54(3,4)20-27(5show more
    Synonyms
    Eleutheroside M|3beta-O-[alpha-L-rhamnopyranosyl-(1->2)alpha-L-arabinopyranosyl]olean-12-ene-28-O-[alpha-L-rhamnopyra...
  4. Valsartan-d8
    CAS: 1089736-72-0 Formula: C24H21D8N5O3 Molecular Weight: 443.57
    ◐ Made to order · 8–12 wks Item #: V649295
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    SMILES
    [2H]C([2H])([2H])C(C([2H])([2H])[2H])([2H])[C@](C(O)=O)([2H])N(C(CCCC)=O)CC1=CC=C(C=C1)C2=C(C3=NN=NN3)C=CC=C2
  5. Apinocaltamide, Voltage-gated T-type calcium channel blocker
    CAS: 1838651-58-3 PubChem CID: 118560618 Formula: C22H18F3N5O Molecular Weight: 425.41
    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%
    ● In Stock — US warehouse, ships to EU* Item #: A649302
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    IUPAC Name
    N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
    SMILES
    C1CC1(C2=CC=C(C=C2)CC(=O)NC3=NN(C=C3)CC4=NC=C(C=C4)C#N)C(F)(F)F
    InChIKey
    LSYANGLAZUZYFX-UHFFFAOYSA-N
    InChI
    1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
    Synonyms
    N-[1-[(5-cyanopyridin-2-yl)methyl]pyrazol-3-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide|NBI827104|NBI-8...
  6. Compound 48/80 trihydrochloride
    CAS: 848035-21-2 PubChem CID: 118797323 Formula: C32H48Cl3N3O3 Molecular Weight: 629.10
    ◐ Made to order · 8–12 wks Item #: C649326
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    IUPAC Name
    2-[4-methoxy-3-[[2-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine;trihyshow more
    SMILES
    CNCCC1=CC(=C(C=C1)OC)CC2=CC(=CC(=C2OC)CC3=C(C=CC(=C3)CCNC)OC)CCNC.Cl.Cl.Cl
    InChIKey
    KIAWAQJORBNOIF-UHFFFAOYSA-N
    InChI
    1S/C32H45N3O3.3ClH/c1-33-14-11-23-7-9-30(36-4)26(17-23)21-28-19-25(13-16-35-3)20-29(32(28)38-6)22-27-18-24(12-15-34-2)8-10-31(27)37-5;;;/h7-10,17-20,3show more
  7. Picloxydine
    CAS: 5636-92-0 EC Number: 227-084-3 PubChem CID: 5748610 Formula: C20H24Cl2N10 Molecular Weight: 475.38
    ◐ Made to order · 8–12 wks Item #: P649325
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    IUPAC Name
    1-N',4-N'-bis[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
    SMILES
    C1CN(CCN1C(=NC(=NC2=CC=C(C=C2)Cl)N)N)C(=NC(=NC3=CC=C(C=C3)Cl)N)N
    InChIKey
    YNCLPFSAZFGQCD-UHFFFAOYSA-N
    InChI
    1S/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,2show more
    Synonyms
    PICLOXYDINE [WHO-DD]|Picloxydinum [INN-Latin]|Picloxydinum|N1,N4-Bis(N-(4-chlorophenyl)carbamimidoyl)piperazine-1,4-b...
  8. [Leu15]-Gastrin I TFA
    CAS: 39024-57-2 EC Number: 254-250-2 Formula: C98H126N20O31 Molecular Weight: 2080.16
    Solid ≥99%
    ◐ Made to order · 8–12 wks Item #: G649200
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    Technical Identifiers
    IUPAC Name
    (4S)-5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oshow more
    SMILES
    CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CNC3show more
    InChIKey
    CMVMLPDUAGUTOC-FPBFVHJESA-N
    InChI
    1S/C98H126N20O31/c1-49(2)38-68(115-96(147)72(43-55-46-101-60-19-12-10-17-58(55)60)117-98(149)74-20-13-37-118(74)77(122)48-103-86(137)61-25-31-75(120)1show more
    Synonyms
    [Leu15]-Gastrin I human|[Leu15]-Gastrin I (human)|(Leu15)-Gastrin I (human)|Amino Acid Sequence Glp-Gly-Pro-Trp-Leu-G...
  9. PHPS1 sodium
    CAS: 1177131-02-0 PubChem CID: 2750336 Formula: C21H14N5NaO6S Molecular Weight: 487.42
    ◐ Made to order · 8–12 wks Item #: P649170
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    IUPAC Name
    sodium;4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
    SMILES
    C1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]
    InChIKey
    UGCJGIIIVDWGCA-UHFFFAOYSA-M
    InChI
    1S/C21H15N5O6S.Na/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16;/h1-13,20H,(H,30,31,32);/q;+1show more
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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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