By Target (DTO)

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 (where available)—to build screening and validation sets.

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19,788 products

Find small molecules associated with ion channel targets for electrophysiology, channel biology, and screening workflows. This category helps organize modulators and probe-like compounds around a core target class used in neuroscience and drug discovery.

Explore small molecules connected to non-olfactory GPCR targets for receptor pharmacology, signaling studies, and assay development. Use this page to compare modulators and tool compounds across a major family of drug-relevant membrane receptors.

Browse small molecules and tool compounds linked to protein kinase targets for kinase biology, screening, and pathway studies. This page helps you compare inhibitors and related modulators across one of the most widely studied target classes in discovery research.

Browse small molecules linked to nuclear hormone receptor targets for endocrine biology, transcription studies, and receptor screening. Use this page to compare modulators relevant to ligand-regulated signaling and mechanism-focused research.

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  1. BQ-123, Antagonist of ET A receptor
    CAS: 136553-81-6 Formula: C31H42N6O7 Molecular Weight: 610.7
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: B275090
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    IUPAC Name
    2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]show more
    SMILES
    CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C(C)C)CC(=O)O)CC3=CNC4=CC=CC=C43
    InChIKey
    VYCMAAOURFJIHD-PJNXIOHISA-N
    InChI
    1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/show more
    Synonyms
    2-((3R,6S,9R,12R,17aS)-9-((1H-indol-3-yl)methyl)-6-isobutyl-3-isopropyl-1,4,7,10,13-pentaoxohexadecahydro-1H-pyrrolo[...
  2. GSK3β inhibitor II, Inhibitor of glycogen synthase kinase 3 beta
    CAS: 478482-75-6 Formula: C14H10IN3OS Molecular Weight: 395.22
    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 Item #: G338641
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    IUPAC Name
    2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
    SMILES
    C1=CC(=CC(=C1)I)CSC2=NN=C(O2)C3=CC=NC=C3
    InChIKey
    ZRHRPGSSSVYBRG-UHFFFAOYSA-N
    InChI
    1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2
    Synonyms
    2-Thio(3-iodobenzyl)-5-(1-pyridyl)-[1,3,4]-oxadiazole | 2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl)-1,3,4-oxa...
  3. GSK-3 Inhibitor XIII, Inhibitor of aurora kinase A;Inhibitor of glycogen synthase kinase 3 beta;Inhibitor of SRC proto-oncogene; non-receptor tyrosine kinase
    CAS: 404828-08-6 Formula: C18H19N5 Molecular Weight: 305.3
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: G338805
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    Synonyms
    (5-Methyl-1H-pyrazol-3-yl)-(2-phenylquinazolin-4-yl)amine
  4. GW 590735, Peroxisome proliferator-activated receptor alpha agonist
    CAS: 622402-22-6 Formula: C23H21F3N2O4S Molecular Weight: 478.48
    In Stock Item #: G275270
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    IUPAC Name
    2-methyl-2-[4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid
    SMILES
    CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O
    InChIKey
    ILUPZUOBHCUBKB-UHFFFAOYSA-N
    InChI
    1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,show more
    Synonyms
    HMS3650D07 | DB07215 | QKY617BBX5 | EX-A5892 | ILUPZUOBHCUBKB-UHFFFAOYSA-N | 2-methyl-2-{4-[({4-methyl-2-[4-(trifluor...
  5. GW 583340 dihydrochloride
    CAS: 1173023-85-2 PubChem CID: 16219404 Formula: C28H25ClFN5O3S2•2HCl Molecular Weight: 671.03
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%(HPLC)
    Out of Stock Item #: G286712
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    IUPAC Name
    N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine;dihydrochloride
    SMILES
    CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.Cl.Cl
    InChIKey
    WIMITXDBYLKRKB-UHFFFAOYSA-N
    InChI
    1S/C28H25ClFN5O3S2.2ClH/c1-40(36,37)10-9-31-14-27-35-25(16-39-27)19-5-7-24-22(12-19)28(33-17-32-24)34-21-6-8-26(23(29)13-21)38-15-18-3-2-4-20(30)11-18show more
    Synonyms
    N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[2-[[[2-(methylsulfonyl)ethyl]amino]methyl]-4-thiazolyl]-4-quinazoli...
  6. Lofepramine, Inhibitor of NET;Inhibitor of SERT
    CAS: 23047-25-8 EC Number: 245-396-8 Formula: C26H27ClN2O Molecular Weight: 418.97
    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 Item #: L287104
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    IUPAC Name
    1-(4-chlorophenyl)-2-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-methylamino]ethanone
    SMILES
    CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl
    InChIKey
    SAPNXPWPAUFAJU-UHFFFAOYSA-N
    InChI
    1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3
    Synonyms
    1-(4-chlorophenyl)-2-{[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamino}ethanone | Gamanil | HMS3413F21...
  7. GSK2126458 (GSK458), Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit alpha;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit beta;Inhibitor of phosphatidylinositol-4;
    CAS: 1086062-66-9 EC Number: 629-873-1 Formula: C25H17F2N5O3S Molecular Weight: 505.5
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G127233
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    IUPAC Name
    2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
    SMILES
    COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F
    InChIKey
    CGBJSGAELGCMKE-UHFFFAOYSA-N
    InChI
    1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3
    Synonyms
    A25172 | CHEBI:95093 | HMS3656D09 | N-[2-Methoxy-5-[4-(4-pyridazinyl)-6-quinolinyl]-3-pyridinyl]benzenesulfonamide | ...
  8. malonic acid
    CAS: 141-82-2 EC Number: 205-503-0 Formula: C3H4O4 Molecular Weight: 104.06
    Solid ≥99%
    In Stock Item #: M305754
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    IUPAC Name
    propanedioic acid
    SMILES
    C(C(=O)O)C(=O)O
    InChIKey
    OFOBLEOULBTSOW-UHFFFAOYSA-N
    InChI
    1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
    Synonyms
    Propanedioic Acid
  9. PF 05190457, Antagonist of ghrelin receptor
    CAS: 1334782-79-4 PubChem CID: 58438464 Formula: C29H32N6OS Molecular Weight: 512.67
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: P288410
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    IUPAC Name
    2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
    SMILES
    CC1=CC(=NC=N1)C2=CC3=C(C=C2)C(CC3)N4CC5(C4)CCN(CC5)C(=O)CC6=CN7C=C(SC7=N6)C
    InChIKey
    ZIUDADZJCKGWKR-AREMUKBSSA-N
    InChI
    1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,1show more
    Synonyms
    2-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1-[2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diaz...
  10. GSK-1016790A, Activator of TRPV4
    CAS: 942206-85-1 Formula: C28H32Cl2N4O6S2 Molecular Weight: 655.61
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G275374
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    IUPAC Name
    N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
    SMILES
    CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3
    InChIKey
    IVYQPSHHYIAUFO-VXKWHMMOSA-N
    InChI
    1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/hshow more
    Synonyms
    GSK101 | HY-19608 | GSK 1016790A | N-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]pipera...
  11. GSK 9027
    CAS: 1229096-88-1 Formula: C27H19F4N3O2S Molecular Weight: 525.52
    In Stock Item #: G288349
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    IUPAC Name
    N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
    SMILES
    C1=CC=C(C=C1)CS(=O)(=O)NC2=CC(=C(C=C2)C3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)C(F)(F)F
    InChIKey
    DXBJGDVBQPEMOB-UHFFFAOYSA-N
    InChI
    1S/C27H19F4N3O2S/c28-21-7-10-23(11-8-21)34-26-13-6-19(14-20(26)16-32-34)24-12-9-22(15-25(24)27(29,30)31)33-37(35,36)17-18-4-2-1-3-5-18/h1-16,33H,17H2
    Synonyms
    N-[4-[1-(4-Fluorophenyl)-1H-indazol-5-yl-3-(trifluoromethyl)phenyl]benzenesulfonamide
  12. GW 1929 hydrochloride
    CAS: 1217466-21-1 PubChem CID: 56972174 Formula: C30H29N3O4•HCl Molecular Weight: 532.03
    Out of Stock Item #: G286659
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    IUPAC Name
    (2S)-2-(2-benzoylanilino)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid;hydrochloride
    SMILES
    CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=CC=C3)C4=CC=CC=N4.Cl
    InChIKey
    KXNKIKXTGRMLEY-YCBFMBTMSA-N
    InChI
    1S/C30H29N3O4.ClH/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23;/h2-18,27,32H,19-show more
    Synonyms
    N-(2-Benzoylphenyl)-O-[2-(methyl-2-pyridinylamino)ethyl]-L-tyrosine hydrochloride
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