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Synthetic organic ligands

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  1. GSK3β inhibitor II, Inhibitor of glycogen synthase kinase 3 beta
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    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...
  2. 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
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    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
  3. GW 583340 dihydrochloride
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    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...
  4. GW 627368, Antagonist of EP 4 receptor
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    GW 627368, Antagonist of EP 4 receptor
    CAS: 439288-66-1 Formula: C30H28N2O6S Molecular Weight: 544.62
    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 #: G288949
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    IUPAC Name
    N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide
    SMILES
    CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)NS(=O)(=O)C5=CC=CC=C5
    InChIKey
    XREWXJVMYAXCJV-UHFFFAOYSA-N
    InChI
    1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,show more
    Synonyms
    A842355 | NSC 96380 | GW627368X | GW-627368X | BCP15277 | EX-A603 | GW 627368 | SY029966 | Benzeneacetamide, 4-(4,9-d...
  5. Lofepramine, Inhibitor of NET;Inhibitor of SERT
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    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...
  6. 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;
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    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 | ...
  7. PF 05190457, Antagonist of ghrelin receptor
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    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...
  8. GSK-1016790A, Activator of TRPV4
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    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...
  9. PFI 4, bromodomain and PHD finger containing 1
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    PFI 4, bromodomain and PHD finger containing 1
    CAS: 900305-37-5 PubChem CID: 40642506 Formula: C21H24N4O3 Molecular Weight: 380.44
    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 #: P287481
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    IUPAC Name
    N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
    SMILES
    CN1C2=C(C=C(C(=C2)NC(=O)C3=CC=CC=C3OC)N4CCCC4)N(C1=O)C
    InChIKey
    QCIJLRJBZDBVDB-UHFFFAOYSA-N
    InChI
    1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
    Synonyms
    N-[2,3-Dihydro-1,3-dimethyl-2-oxo-6-(1-pyrrolidinyl)-1H-benzimidazol-5-yl]-2-methoxybenzamide
  10. GSK690693, Protein kinase C (PKC) inhibitor
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    GSK690693, Protein kinase C (PKC) inhibitor
    CAS: 937174-76-0 EC Number: 804-554-1 Formula: C21H27N7O3 Molecular Weight: 425.48
    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 #: G127527
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    Technical Identifiers
    IUPAC Name
    4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
    SMILES
    CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N
    InChIKey
    KGPGFQWBCSZGEL-ZDUSSCGKSA-N
    InChI
    1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,2show more
    Synonyms
    (R)-4-(2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-3-yl-MeO)-1H-imidazo[4,5-c]pyridin-4-yl)-2-Me-but-3-yn-2...
  11. Retapamulin, 70S ribosome inhibitor
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    Retapamulin, 70S ribosome inhibitor
    CAS: 224452-66-8 PubChem CID: 6918462 Formula: C30H47NO4S Molecular Weight: 517.76
    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 Item #: R125875
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    IUPAC Name
    [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1show more
    SMILES
    CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C
    InChIKey
    STZYTFJPGGDRJD-FJJJPKKESA-N
    InChI
    1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34Hshow more
    Synonyms
    DTXSID30181492 | HY-17010 | Altargo | RETAPAMULIN [MI] | RETAPAMULIN [INN] | (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Me...
  12. GSK1059615, PI3-kinase class I inhibitor
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    GSK1059615, PI3-kinase class I inhibitor
    CAS: 958852-01-2 Formula: C18H11N3O2S Molecular Weight: 333.36
    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 #: G127955
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    IUPAC Name
    (5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
    SMILES
    C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4
    InChIKey
    QDITZBLZQQZVEE-YBEGLDIGSA-N
    InChI
    1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
    Synonyms
    Thiodiphenylamin [German] | D70652 | OXIRANE,2-[(PHENYLMETHOXY)METHYL]- | BRD-K06750613-001-01-6 | HY-12036 | NCGC003...
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