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Ap2-associated protein kinase 1 (AAK1)

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  1. Binimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
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    Binimetinib, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    CAS: 606143-89-9 EC Number: 639-995-7 Formula: C17H15BrF2N4O3 Molecular Weight: 441.23
    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 #: M126898
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    IUPAC Name
    6-(4-bromo-2-fluoroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
    SMILES
    CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO
    InChIKey
    ACWZRVQXLIRSDF-UHFFFAOYSA-N
    InChI
    1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
    Synonyms
    AMY9056 | BINIMETINIB [WHO-DD] | D10604 | GTPL7921 | Q19903515 | QO7 | EN300-7411873 | NSC 267219 | SW219910-1 | US11...
  2. Ridaforolimus (Deforolimus, MK-8669), Inhibitor of mechanistic target of rapamycin kinase
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    Ridaforolimus (Deforolimus, MK-8669), Inhibitor of mechanistic target of rapamycin kinase
    CAS: 572924-54-0 EC Number: 682-462-9 PubChem CID: 11520894 Formula: C53H84NO14P Molecular Weight: 990.21
    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 #: D126066
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    IUPAC Name
    (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-dimethylphosphoryloxy-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydshow more
    SMILES
    CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC
    InChIKey
    BUROJSBIWGDYCN-GAUTUEMISA-N
    InChI
    1S/C53H84NO14P/c1-32-18-14-13-15-19-33(2)44(63-8)30-40-23-21-38(7)53(61,67-40)50(58)51(59)54-25-17-16-20-41(54)52(60)66-45(35(4)28-39-22-24-43(46(29-3show more
    Synonyms
    AP23573 | Deforolimus (MK-8669) | AKOS030526165 | NSC757440 | NSC-757440 | CCG-270602 | Q2151796 | Deforolimus | (1R,...
  3. HMN-214
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    HMN-214
    CAS: 173529-46-9 Formula: C22H20N2O5S Molecular Weight: 424.48
    ≥98%
    In Stock Item #: H125770
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    IUPAC Name
    N-(4-methoxyphenyl)sulfonyl-N-[2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]phenyl]acetamide
    SMILES
    CC(=O)N(C1=CC=CC=C1C=CC2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC
    InChIKey
    OCKHRKSTDPOHEN-BQYQJAHWSA-N
    InChI
    1S/C22H20N2O5S/c1-17(25)24(30(27,28)21-11-9-20(29-2)10-12-21)22-6-4-3-5-19(22)8-7-18-13-15-23(26)16-14-18/h3-16H,1-2H3/b8-7+
    Synonyms
    BRD-K70511574-001-01-0 | (E)-4-(2-(2-(N-Acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide | a...
  4. K-252a
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    K-252a
    CAS: 99533-80-9 EC Number: 640-127-4 Formula: C27H21N3O5 Molecular Weight: 467.47
    ≥97%(HPLC)
    Out of Stock Item #: K139531
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    IUPAC Name
    methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,2show more
    SMILES
    CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O
    InChIKey
    KOZFSFOOLUUIGY-SOLYNIJKSA-N
    InChI
    1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11show more
    Synonyms
    K 252 | methyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]...
  5. Perifosine (KRX-0401)
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    Perifosine (KRX-0401)
    CAS: 157716-52-4 EC Number: 690-653-3 Formula: C25H52NO4P Molecular Weight: 461.66
    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 #: P124979
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    IUPAC Name
    (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate
    SMILES
    CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C
    InChIKey
    SZFPYBIJACMNJV-UHFFFAOYSA-N
    InChI
    1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
    Synonyms
    Piperidinium,1-dimethyl-, inner salt | 2GWV496552 | GTPL7424 | EX-3388 | s1037 | AB01563363_01 | 1,1-dimethylpiperidi...
  6. PF-03814735
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    PF-03814735
    CAS: 942487-16-3 Formula: C23H25F3N6O2 Molecular Weight: 474.48
    ≥98%
    Out of Stock Item #: P127543
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    Technical Identifiers
    IUPAC Name
    N-[2-[(1R,8S)-4-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetashow more
    SMILES
    CC(=O)NCC(=O)N1C2CCC1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F
    InChIKey
    RYYNGWLOYLRZLK-RBUKOAKNSA-N
    InChI
    1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7show more
    Synonyms
    UNII-6V5T4O5758 | NSC801015 | NSC-801015 | DTXSID601025621 | C23H25F3N6O2 | Q27265567 | PF03814735 | PF-03814735 | s2...
  7. Amuvatinib (MP-470), Platelet-derived growth factor receptor alpha inhibitor
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    Amuvatinib (MP-470), Platelet-derived growth factor receptor alpha inhibitor
    CAS: 850879-09-3 Formula: C23H21N5O3S Molecular Weight: 447.52
    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 #: M127412
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    IUPAC Name
    N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide
    SMILES
    C1CN(CCN1C2=NC=NC3=C2OC4=CC=CC=C43)C(=S)NCC5=CC6=C(C=C5)OCO6
    InChIKey
    FOFDIMHVKGYHRU-UHFFFAOYSA-N
    InChI
    1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,2show more
    Synonyms
    N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(benzofuro[3,2-d]pyrimidin-4-yl)piperazine-1-carbothioamide | NSC754349 | NSC-75...
  8. AZD8330, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
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    AZD8330, Dual specificity mitogen-activated protein kinase kinase 2 inhibitor
    CAS: 869357-68-6 EC Number: 642-441-7 Formula: C16H17FIN3O4 Molecular Weight: 461.23
    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 #: A127453
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    IUPAC Name
    2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide
    SMILES
    CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
    InChIKey
    RWEVIPRMPFNTLO-UHFFFAOYSA-N
    InChI
    1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)
    Synonyms
    2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carboxamide | HY-12058 | AKOS005257...
  9. Mubritinib (TAK 165), Receptor protein-tyrosine kinase erbB-2 inhibitor
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    Mubritinib (TAK 165), Receptor protein-tyrosine kinase erbB-2 inhibitor
    CAS: 366017-09-6 Formula: C25H23F3N4O2 Molecular Weight: 468.47
    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 #: M129797
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    IUPAC Name
    4-[[4-[4-(triazol-1-yl)butyl]phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
    SMILES
    C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F
    InChIKey
    ZTFBIUXIQYRUNT-MDWZMJQESA-N
    InChI
    1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13show more
    Synonyms
    TAK165 | DNDI1268116 | M3058 | SCHEMBL50451 | CCG-269433 | Mubritinib (USAN/INN) | D04025 | DTXSID501026014 | [4-[4-[...
  10. AMG-208, Hepatocyte growth factor receptor inhibitor
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    AMG-208, Hepatocyte growth factor receptor inhibitor
    CAS: 1002304-34-8 Formula: C22H17N5O2 Molecular Weight: 383.41
    ≥98%
    Out of Stock Item #: A127592
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    IUPAC Name
    7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
    SMILES
    COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5
    InChIKey
    HEAIZQNMNCHNFD-UHFFFAOYSA-N
    InChI
    1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
    Synonyms
    1-Propanone,1-(2,4,6-trihydroxyphenyl)- | 7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoli...
  11. Baricitinib, Tyrosine-protein kinase JAK2 inhibitor
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    Baricitinib, Tyrosine-protein kinase JAK2 inhibitor
    CAS: 1187594-09-7 EC Number: 691-421-4 Formula: C16H17N7O2S Molecular Weight: 371.42
    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 #: B127687
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    IUPAC Name
    2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
    SMILES
    CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
    InChIKey
    XUZMWHLSFXCVMG-UHFFFAOYSA-N
    InChI
    1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
    Synonyms
    DB11817 | GTPL7792 | HMS3672M15 | LY3009104 | LY-3009104 | Z2724205326 | 2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PY...
  12. SGC AAK1 1
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    SGC AAK1 1
    CAS: 2247894-32-0 PubChem CID: 134812845 Formula: C21H25N5O3S Molecular Weight: 427.52
    ≥98%(HPLC)
    In Stock Item #: S288249
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    IUPAC Name
    N-[6-[3-(diethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
    SMILES
    CCN(CC)S(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4
    InChIKey
    UCBIQZUJJSVQHL-UHFFFAOYSA-N
    InChI
    1S/C21H25N5O3S/c1-3-26(4-2)30(28,29)25-17-7-5-6-15(12-17)16-10-11-18-19(13-16)23-24-20(18)22-21(27)14-8-9-14/h5-7,10-14,25H,3-4,8-9H2,1-2H3,(H2,22,23,show more
    Synonyms
    N-(6-(3-((N,N-diethylsulfamoyl)amino)phenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
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