按“信号通路”分类 - 小分子和化合物库

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AT406 (SM-406)
- ≥98%
CAS号: 1071992-99-8

分子式: C₃₂H₄₃N₅O₄ 分子量: 561.71

IUPAC Name: (5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

SMILES: CC(C)CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)C(C)NC)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey: LSXUTRRVVSPWDZ-MKKUMYSQSA-N

InChI: 1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/tSee more
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LY364947,TGFβR-I抑制剂
- ≥98%
CAS号: 396129-53-6

分子式: C₁₇H₁₂N₄ 分子量: 272.3

IUPAC Name: 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)quinoline

SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4

InChIKey: IBCXZJCWDGCXQT-UHFFFAOYSA-N

InChI: 1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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RepSox,TGF-β1型受体抑制剂
- ≥98%
CAS号: 446859-33-2

分子式: C₁₇H₁₃N₅ 分子量: 287.32

IUPAC Name: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridine

SMILES: CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4

InChIKey: LBPKYPYHDKKRFS-UHFFFAOYSA-N

InChI: 1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)
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SB431542,ALK抑制剂
- ≥98%
CAS号: 301836-41-9

分子式: C₂₂H₁₆N₄O₃ 分子量: 384.39

IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide

SMILES: C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5

InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N

InChI: 1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
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SD-208,ATP竞争性TGF-βRI抑制剂
- ≥98%
CAS号: 627536-09-8 Compound CID : 10316032

分子式: C₁₇H₁₀ClFN₆ 分子量: 352.75

IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine

SMILES: C1=CC(=C(C=C1Cl)C2=NC3=NC=CN=C3C(=N2)NC4=CC=NC=C4)F

InChIKey: BERLXWPRSBJFHO-UHFFFAOYSA-N

InChI: 1S/C17H10ClFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
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SB505124,竞争性ALK5抑制剂
- ≥98%
CAS号: 694433-59-5 Compound CID : 9858940

分子式: C₂₀H₂₁N₃O₂ 分子量: 335.4

IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl]-6-methylpyridine

SMILES: CC1=NC(=CC=C1)C2=C(N=C(N2)C(C)(C)C)C3=CC4=C(C=C3)OCO4

InChIKey: WGZOTBUYUFBEPZ-UHFFFAOYSA-N

InChI: 1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,22,23)
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BIX02189,MEK5和ERK5抑制剂
- ≥98%
CAS号: 1265916-41-3

分子式: C₂₇H₂₈N₄O₂ 分子量: 440.54

IUPAC Name: 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamide

SMILES: CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O

InChIKey: ZGXOBLVQIVXKEB-UHFFFAOYSA-N

InChI: 1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3
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Birinapant,cIAP1和XIAP拮抗剂
- ≥98%
CAS号: 1260251-31-7

分子式: C₄₂H₅₆F₂N₈O₆ 分子量: 806.94

IUPAC Name: (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypySee more

SMILES: CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC

InChIKey: PKWRMUKBEYJEIX-DXXQBUJASA-N

InChI: 1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/See more
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钙离子载体 A23187
- ≥97%
CAS号: 52665-69-7

分子式: C₂₉H₃₇N₃O₆ 分子量: 523.62

IUPAC Name: 5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

SMILES: CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

InChIKey: HIYAVKIYRIFSCZ-CYEMHPAKSA-N

InChI: 1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16-See more
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GDC-0152
- ≥98%
CAS号: 873652-48-3

分子式: C₂₅H₃₄N₆O₃S 分子量: 498.64

IUPAC Name: (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide

SMILES: CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC

InChIKey: WZRFLSDVFPIXOV-LRQRDZAKSA-N

InChI: 1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-See more
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GW788388,TGF-βRI的有效抑制剂
- ≥98%
CAS号: 452342-67-5

分子式: C₂₅H₂₃N₅O₂ 分子量: 425.48

IUPAC Name: N-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridin-2-yl]benzamide

SMILES: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

InChIKey: SAGZIBJAQGBRQA-UHFFFAOYSA-N

InChI: 1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
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LY2109761
- ≥99%
CAS号: 700874-71-1

分子式: C₂₆H₂₇N₅O₂ 分子量: 441.52

IUPAC Name: 4-[2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxyethyl]morpholine

SMILES: C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6

InChIKey: IHLVSLOZUHKNMQ-UHFFFAOYSA-N

InChI: 1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2
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