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 —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. Bradykinin Fragment 2-9
    CAS: 16875-11-9 PubChem CID: 4140859 Formula: C44H61N11O10 Molecular Weight: 904.02
    ● In Stock — US warehouse, ships to EU* Item #: B118780
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    IUPAC Name
    5-(diaminomethylideneamino)-2-[[2-[[1-[3-hydroxy-2-[[3-phenyl-2-[[2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amshow more
    SMILES
    C1CC(NC1)C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
    InChIKey
    ZZHVXIPXTCBVBE-UHFFFAOYSA-N
    InChI
    1S/C44H61N11O10/c45-44(46)48-20-8-16-30(43(64)65)51-38(59)32(24-28-13-5-2-6-14-28)52-40(61)35-18-10-22-55(35)42(63)33(26-56)53-37(58)31(23-27-11-3-1-4show more
  2. Br-PEG4-CH2-Boc
    CAS: 1807505-29-8 Formula: C14H27BrO6 Molecular Weight: 371.26
    ◐ .Made to order · 8–12 wks Item #: B412729
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    IUPAC Name
    tert-butyl 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]acetate
    SMILES
    CC(C)(C)OC(=O)COCCOCCOCCOCCBr
    InChIKey
    PELYBQFWTCXTNW-UHFFFAOYSA-N
    InChI
    1S/C14H27BrO6/c1-14(2,3)21-13(16)12-20-11-10-19-9-8-18-7-6-17-5-4-15/h4-12H2,1-3H3
  3. Br-PEG4-OH
    CAS: 85141-94-2 EC Number: 886-530-0 Formula: C8H17BrO4 Molecular Weight: 257.12
    Liquid 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 #: B412703
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    IUPAC Name
    2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethanol
    SMILES
    C(COCCOCCOCCBr)O
    InChIKey
    CERQCRALBKUCTF-UHFFFAOYSA-N
    InChI
    1S/C8H17BrO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2
    Synonyms
    SCHEMBL10961934 | F12154 | Ethanol, 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]- | 2-[2-[2-(2-Bromoethoxy)ethoxy]ethoxy]eth...
  4. Bradykinin acetate salt
    CAS: 6846-03-3 EC Number: 686-491-8 PubChem CID: 91886389 Formula: C50H73N15O11 C2H4O2 Molecular Weight: 1120.21
    Solid ≥98%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: A304378
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    IUPAC Name
    acetic acid;(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pshow more
    SMILES
    CC(=O)O.C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
    InChIKey
    VIGBULRGBBKXHS-MIEKKPBHSA-N
    InChI
    1S/C50H73N15O11.C2H4O2/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62show more
    Synonyms
    AS-78097 | MFCD06763566 | Bradykinin acetate salt | Bradykinin acetate (H-L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-P...
  5. Boron sodium oxide tetrahydrate
    CAS: 12280-03-4 EC Number: 602-894-3 PubChem CID: 90478478 Formula: B8H8Na2O17 Molecular Weight: 412.52
    Boron: 18-22%
    ● In Stock — Germany Item #: B302662
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    IUPAC Name
    disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexaborabicyclo[5.5.1]tridecan-3-yl)oxy-oxoborane;tetrahydrate
    SMILES
    B(=O)OB1OB2OB(OB(OB(O2)OB(O1)OB=O)[O-])[O-].O.O.O.O.[Na+].[Na+]
    InChIKey
    RDMZIKMKSGCBKK-UHFFFAOYSA-N
    InChI
    1S/B8O13.2Na.4H2O/c9-1-13-5-18-6(14-2-10)20-8-17-4(12)15-3(11)16-7(19-5)21-8;;;;;;/h;;;4*1H2/q-2;2*+1;;;;
    Synonyms
    12280-03-4|Boron sodium oxide (B8Na2O13), tetrahydrate|disodium;(9,11-dioxido-5-oxoboranyloxy-2,4,6,8,10,12,13-heptao...
  6. Borussertib
    CAS: 1800070-77-2 Formula: C36H32N6O3 Molecular Weight: 596.68
    ● In Stock — US warehouse, ships to EU* Item #: B414212
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    IUPAC Name
    N-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]prop-2-enamide
    SMILES
    C=CC(=O)NC1=CC2=C(C=C1)NC(=O)N2C3CCN(CC3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7
    InChIKey
    HXBRBOYWXDLHDC-UHFFFAOYSA-N
    InChI
    1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-show more
    Synonyms
    N-[2-oxo-3-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-5-yl]prop-2-...
  7. Bozitinib (PLB-1001), Inhibitor of MET proto-oncogene; receptor tyrosine kinase
    CAS: 1440964-89-5 Formula: C20H15F3N8  Molecular Weight: 424.38
    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 #: B421621
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    IUPAC Name
    6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
    SMILES
    CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
    InChIKey
    QHXLXUIZUCJRKV-UHFFFAOYSA-N
    InChI
    1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
    Synonyms
    1,2,4-Triazolo(4,3-b)pyridazine, 6-(1-cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6- fluoro-2-methyl-2H-indazol-5-yl)met...
  8. Bopindolol malonate
    CAS: 62658-64-4 Formula: C23H28N2O3.C3H4O4 Molecular Weight: 484.6
    ◐ .Made to order · 8–12 wks Item #: B275014
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    IUPAC Name
    [1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate;propanedioic acid
    SMILES
    CC1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)OC(=O)C3=CC=CC=C3.C(C(=O)O)C(=O)O
    InChIKey
    LDOONRJGLKHGJI-UHFFFAOYSA-N
    InChI
    1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;show more
    Synonyms
    2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), propanedioate (1:1)(salt...
  9. Brain Natriuretic Peptide-32 rat
    CAS: 133448-20-1 PubChem CID: 71308564 Formula: C146H239N47O44S3 Molecular Weight: 3452.94
    ● In Stock — US warehouse, ships to EU* Item #: B118772
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    IUPAC Name
    (3S)-3-[[(4R,10S,13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-40-(4-aminobutyl)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-show more
    SMILES
    CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)show more
    InChIKey
    CKSKSHHAEYGHSB-LBCJMRPYSA-N
    InChI
    1S/C146H239N47O44S3/c1-16-75(11)114-140(233)165-59-107(201)167-77(13)117(210)191-113(74(9)10)141(234)189-102(67-198)134(227)176-86(38-29-46-160-145(15show more
    Synonyms
    BNP-32 | BNP (1-32), rat | Brain Natriuretic Peptide-32 rat | Brain Natriuretic Peptide-32 rat, >=97% (HPLC), powder ...
  10. Branaplam (LMI070)
    CAS: 1562338-42-4 Formula: C22H27N5O2 Molecular Weight: 393.48
    ● In Stock — US warehouse, ships to EU* Item #: B413563
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    IUPAC Name
    5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
    SMILES
    CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C
    InChIKey
    STWTUEAWRAIWJG-UHFFFAOYSA-N
    InChI
    1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
    Synonyms
    5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | BZ164573 | LMI070 (NVS-SM1) | ...
  11. Branaplam (LMI070)
    CAS: 1562338-42-4 Formula: C22H27N5O2 Molecular Weight: 393.48
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B421866
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    Technical Identifiers
    IUPAC Name
    5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
    SMILES
    CC1(CC(CC(N1)(C)C)OC2=NN=C(C=C2)C3=C(C=C(C=C3)C4=CNN=C4)O)C
    InChIKey
    STWTUEAWRAIWJG-UHFFFAOYSA-N
    InChI
    1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
    Synonyms
    5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol | BZ164573 | LMI070 (NVS-SM1) | ...
  12. Boldine
    CAS: 476-70-0 EC Number: 207-509-9 Formula: C19H21NO4 Molecular Weight: 327.37
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B424150
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    IUPAC Name
    (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
    SMILES
    CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
    InChIKey
    LZJRNLRASBVRRX-ZDUSSCGKSA-N
    InChI
    1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1
    Synonyms
    BOLDINE (EP MONOGRAPH) | DTXSID40883394 | 5-21-06-00118 (Beilstein Handbook Reference) | 6a.alpha.-Aporphine-2,9-diol...
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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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