PDK-1
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OSU-03012 (AR-12),PDPK1(PDK1)抑制剂CAS号 : 742112-33-0 Compound CID : 10027278分子式: C26H19F3N4O 分子量: 460.46IUPAC Name: 2-amino-N-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamideSMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)FInChIKey: YULUCECVQOCQFQ-UHFFFAOYSA-NInChI: InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)
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重楼皂甙ACAS号 : 50773-41-6 Compound CID : 71571451分子式: C44H70O16 分子量: 855.02SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)OC7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1
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N-(对甲苯磺酰基)-L-苯丙氨酰甲基氯酮(TPCK)分子式: C17H18ClNO3S 分子量: 351.85IUPAC Name: N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamideSMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CClInChIKey: MQUQNUAYKLCRME-INIZCTEOSA-NInChI: InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
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BX-912,PDK1 抑制剂CAS号 : 702674-56-4 Compound CID : 11754511分子式: C20H23BrN8O 分子量: 471.36IUPAC Name: N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamideSMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)BrInChIKey: DMMILYKXNCVKOJ-UHFFFAOYSA-NInChI: InChI=1S/C20H23BrN8O/c21-17-12-24-19(28-18(17)23-7-6-16-11-22-13-25-16)26-14-4-3-5-15(10-14)27-20(30)29-8-1-2-9-29/h3-5,10-13H,1-2,6-9H2,(H,22,25)(H,27,30)(H2,23,24,26,28)
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BX-795,PDK1抑制剂CAS号 : 702675-74-9 Compound CID : 10077147分子式: C23H26IN7O2S 分子量: 591.47IUPAC Name: N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamideSMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)IInChIKey: VAVXGGRQQJZYBL-UHFFFAOYSA-NInChI: InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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GSK2334470,新型有效的PDK1抑制剂CAS号 : 1227911-45-6 Compound CID : 46215815分子式: C25H34N8O 分子量: 462.59IUPAC Name: (3S,6R)-1-[6-(3-amino-1H-indazol-6-yl)-2-(methylamino)pyrimidin-4-yl]-N-cyclohexyl-6-methylpiperidine-3-carboxamideSMILES: CC1CCC(CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5InChIKey: QLPHOXTXAKOFMU-WBVHZDCISA-NInChI: InChI=1S/C25H34N8O/c1-15-8-9-17(24(34)28-18-6-4-3-5-7-18)14-33(15)22-13-20(29-25(27-2)30-22)16-10-11-19-21(12-16)31-32-23(19)26/h10-13,15,17-18H,3-9,14H2,1-2H3,(H,28,34)(H3,26,31,32)(H,27,29,30)/t15-,17+/m1/s1
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(+)-脱氢松香胺 [光学拆分剂]CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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PS48,变构磷酸肌醇依赖性蛋白激酶1(PDK1)激动剂CAS号 : 1180676-32-7 Compound CID : 44141940分子式: C17H15ClO2 分子量: 286.76IUPAC Name: (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acidSMILES: C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)ClInChIKey: LLJYFDRQFPQGNY-QINSGFPZSA-NInChI: InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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脱氢松香胺CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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PS 48CAS号 : 1180676-32-7 Compound CID : 44141940分子式: C17H15ClO2 分子量: 286.76IUPAC Name: (Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acidSMILES: C1=CC=C(C=C1)C(=CC(=O)O)CCC2=CC=C(C=C2)ClInChIKey: LLJYFDRQFPQGNY-QINSGFPZSA-NInChI: InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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PKD-IN-1 二盐酸盐CAS号 : 2308510-39-4分子式: C18H21Cl3N4O 分子量: 415.74SMILES: OC1=CC=C(Cl)C=C1C2=NC(NC[C@H](N)CC)=C3C=CC=CC3=N2.[H]Cl.[H]Cl
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PS210CAS号 : 1221962-86-2 Compound CID : 66760004分子式: C15H9N3O 分子量: 247.25IUPAC Name: 2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acidSMILES: C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)OInChIKey: MLJPLHGJBUWCBA-UHFFFAOYSA-NInChI: InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)