激酶靶向化合物库

Kinase Focused Library

蛋白激酶是多种疾病的关键调控因子，使其成为21世纪最重要的药物靶点之一。其研究热度仅次于G蛋白偶联受体（GPCRs），是第二大靶标类别。截至2024年，美国FDA已批准约80种针对近二十种不同激酶的抑制剂，仅2023年就有7款新药获批。由于激酶编码基因在人类基因组中广泛存在，激酶抑制剂在抗癌药物研发领域展现出巨大潜力。然而，目前已报道的激酶调节剂因结构相似性普遍面临选择性挑战，这凸显了激酶靶向药物开发需要更精准创新的策略。

我们的化学信息学团队精心制备了超过67,000种类药性筛选化合物，这些小分子化合物经预测具有激酶抑制功能。这些新型内部合成分子通过先进的计算机辅助配体筛选技术，从我们专有的高通量化合物库中经过严格筛选而得。

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产品编号： LF3600

规格
10 μL x 10 mM (in DMSO)
20 μL x 10 mM (in DMSO)
30 μL x 10 mM (in DMSO)
50 μL x 10 mM (in DMSO)
100 μL x 10 mM (in DMSO)
250 μL x 10 mM (in DMSO)

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技术资料

产品描述

产品描述:
化合物筛选
我们的化学信息学团队首先从ChEMBL数据库中整理出一套包含13.5万余种具有已报道激酶抑制活性（如IC50、Ki < 10 μM；抑制率 > 50%）化合物的参考集。随后对内部数据库与该蛋白激酶调节剂参考集进行二维指纹相似性搜索（塔尼莫托系数 > 0.85）。通过内部药物化学标准对初步筛选化合物进行严格过滤，排除PAINS结构、毒性基团及反应性基团，确保获得高质量候选化合物。

图1. 驱动激酶的治疗研发现状（引自：Fleuren, E., Zhang, L., Wu, J. 等人《癌症中的激酶组全局研究》，《自然·癌症评论》第16卷，第83–98页，2016年）

图2. 蛋白激酶聚焦库中针对单一蛋白靶点的化合物分布。
筛选库包含针对以下分子靶点的激酶抑制剂类似物：
- 3-phosphoinositide dependent protein kinase-1
- 6-phospho-1-fructokinase
- 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
- Adenosine kinase
- ALK tyrosine kinase receptor
- AMP-activated protein kinase, alpha-1 subunit
- AMP-activated protein kinase, alpha-2 subunit
- Autoinducer 1 sensor kinase/phosphatase luxN
- Bcr/Abl fusion protein
- BR serine/threonine-protein kinase 2
- CAI-1 autoinducer sensor kinase/ phosphatase CqsS
- Calcium-dependent protein kinase 1
- Calcium-dependent protein kinase 4
- Calmodulin-domain protein kinase 1
- Calpain 2
- CaM kinase I
- CaM kinase II
- CaM-kinase kinase beta
- cAMP-dependent protein kinase Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1
- Casein kinase I
- Casein kinase II
- Cdk-related protein kinase 6
- Cell division protein kinase 8
- Choline kinase alpha
- c-Jun N-terminal kinase 1
- c-Jun N-terminal kinase 2
- c-Jun N-terminal kinase 3
- Connector enhancer of kinase suppressor of ras 1
- Cyclin-dependent kinase 1
- Cyclin-dependent kinase 10
- Cyclin-dependent kinase 13
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 4
- Cyclin-dependent kinase 5
- Cyclin-dependent kinase 7
- Cyclin-dependent kinase 9
- Death-associated protein kinase 3
- Deoxycytidine kinase
- Diacylglycerol kinase alpha
- Discoidin domain-containing receptor 2
- DNA-dependent protein kinase
- Dual specificity mitogen-activated protein kinase kinase 1
- Dual specificity mitogen-activated protein kinase kinase 7
- Dual specificity phosphatase 22
- Dual specificity protein kinase CLK1
- Dual specificity protein kinase CLK2
- Dual specificity protein kinase CLK3
- Dual specificity protein kinase CLK4
- Dual specificity protein phosphatase 1
- Dual specificity protein phosphatase 4
- Dual specificity protein phosphatase 6
- Dual specificity tyrosine-phosphorylation -regulated kinase 1
- Dual specificity tyrosine-phosphorylation- regulated kinase 4
- Dual specificty protein kinase CLK1
- Dual-specificity tyrosine-phosphorylation regulated kinase 1A
- Dual-specificity tyrosine-phosphorylation regulated kinase 2
- Dual-specificity tyrosine-phosphorylation regulated kinase 3
- Enteropeptidase
- Ephrin type-A receptor 2
- Ephrin type-A receptor 4
- Ephrin type-B receptor 3
- Epidermal growth factor receptor and ErbB2 (HER1 and HER2)
- Epidermal growth factor receptor erbB1
- Extracellular serine/threonine protein kinase FAM20C
- Fibroblast growth factor receptor 1
- Fibroblast growth factor receptor 2
- Fibroblast growth factor receptor 3
- Fibroblast growth factor receptor 4
- Focal adhesion kinase 1
- G protein-coupled receptor kinase 6
- G protein-coupled receptor kinase 7
- Galactokinase
- Glycogen synthase kinase-3
- G-protein coupled receptor kinase 2
- Hepatocyte growth factor receptor
- Hexokinase
- Histidine kinase
- Histidine protein kinase DivJ
- Homeodomain-interacting protein kinase 2
- Homeodomain-interacting protein kinase 4
- HPr kinase
- Inhibitor of nuclear factor kappa B kinase Inositol hexakisphosphate kinase 1
- Insulin receptor
- Insulin-like growth factor I receptor
- Interleukin-1 receptor-associated kinase 4
- kinase HTS assays
- Kinase pharmacophore model
- Leucine-rich repeat serine/threonine-protein kinase 2
- Leukocyte tyrosine kinase receptor
- LIM domain kinase 1
- Macrophage colony stimulating factor receptor
- Macrophage-stimulating protein receptor
- MAP kinase ERK1
- MAP kinase ERK2
- MAP kinase p38
- MAP kinase signal-integrating kinase 2
- MAP kinase-activated protein kinase 2
- MAP kinase-interacting serine/threonine-protein kinase MNK1
- MAP/microtubule affinity-regulating kinase 2
- Maternal embryonic leucine zipper kinase
- Mitogen-activated protein kinase
- Mitogen-activated protein kinase 7
- Mitogen-activated protein kinase 10
- Mitogen-activated protein kinase 12
- Mitogen-activated protein kinase 5
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 4
- Mitogen-activated protein kinase 5
- Myosin light chain kinase 2
- Myosin light chain kinase, smooth muscle
- Nerve growth factor receptor Trk-A
- NUAK family SNF1-like kinase 1
- NUAK family SNF1-like kinase 2
- Pantothenate kinase 3
- PAS domain-containing serine/threonine-protein kinase
- PDZ-binding kinase
- Phosphatidylinositol 3-kinase catalytic subunit type 3
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide
- Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma
- Phosphatidylinositol-5-phosphate 4-kinase type-2
- Phosphoglycerate kinase
- Phosphoglycerate kinase, glycosomal
- Phosphorylase kinase gamma
- PI3-kinase p110
- PI4-kinase
- Platelet-derived growth factor receptor
- Protein arginine N-methyltransferase 5
- Protein kinase 6
- Protein kinase C
- Protein kinase N2
- Protein kinase Pfmrk
- Protein tyrosine kinase 2 beta
- Proto-oncogene tyrosine-protein kinase MER
- Putative hexokinase HKDC1
- Putative uncharacterized protein pk7
- Pyridoxal kinase
- Pyruvate dehydrogenase kinase
- Pyruvate kinase
- Pyruvate kinase isozymes M1/M2
- Pyruvate kinase isozymes R/L
- RAC-alpha serine/threonine-protein kinase
- Receptor protein-tyrosine kinase erbB-2
- Receptor-interacting serine/threonine-protein kinase 1
- Rho-associated protein kinase 1
- Rho-associated protein kinase 2
- Ribosomal protein S6 kinase
- Serine/threonine-protein kinase 17
- Serine/threonine-protein kinase 19
- Serine/threonine-protein kinase 33
- Serine/threonine-protein kinase AKT
- Serine/threonine-protein kinase AKT2
- Serine/threonine-protein kinase A-Raf
- Serine/threonine-protein kinase Aurora
- Serine/threonine-protein kinase B-raf
- Serine/threonine-protein kinase Chk1
- Serine/threonine-protein kinase Chk2
- Serine/threonine-protein kinase c-TAK1
- Serine/threonine-protein kinase EEF2K
- Serine/threonine-protein kinase GAK
- Serine/threonine-protein kinase haspin
- Serine/threonine-protein kinase ILK-1
- Serine/threonine-protein kinase MARK1
- Serine/threonine-protein kinase MRCK-A
- Serine/threonine-protein kinase MST1
- Serine/threonine-protein kinase mTOR
- Serine/threonine-protein kinase NEK2
- Serine/threonine-protein kinase NEK6
- Serine/threonine-protein kinase PAK 1
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM1
- Serine/threonine-protein kinase PIM2
- Serine/threonine-protein kinase PIM3
- Serine/threonine-protein kinase pknB
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase PLK2
- Serine/threonine-protein kinase PLK3
- Serine/threonine-protein kinase PLK4
- Serine/threonine-protein kinase RAF
- Serine/threonine-protein kinase RAF a Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)
- Serine/threonine-protein kinase RAF and Dual specificity mitogen-activated protein kinase kinase 1 (Raf/MEK)
- Serine/threonine-protein kinase receptor R3
- Serine/threonine-protein kinase RIPK2
- Serine/threonine-protein kinase Sgk1
- Serine/threonine-protein kinase SRPK1
- Serine/threonine-protein kinase TAO1
- Serine/threonine-protein kinase TAO2
- Serine/threonine-protein kinase TAO3
- Serine/threonine-protein kinase TNNI3K
- Serine/threonine-protein kinase VRK2
- Serine/threonine-protein kinase WNK1
- Serine/threonine-protein kinase/endoribonuclease IRE1
- Serine/threonine-protein phosphatase
- Serine-protein kinase ATM
- Sphingosine kinase 1
- Sphingosine kinase 2
- STE20/SPS1-related proline-alanine-rich protein kinase
- Stem cell growth factor receptor
- Streptokinase A
- Tau-tubulin kinase 1
- Telomerase reverse transcriptase
- TGF-beta receptor type I
- TGF-beta receptor type II
- Thymidine kinase
- TRAF2- and NCK-interacting kinase
- Transcription factor ETV6/Tyrosine-protein kinase ABL1
- Transient receptor potential cation channel subfamily M member 7
- Transmembrane protease serine 4
- Tyrosine- and threonine-specific cdc2-inhibitory kinase
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL
- Tyrosine-protein kinase BMX
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase FES
- Tyrosine-protein kinase FYN
- Tyrosine-protein kinase ITK/TSK
- Tyrosine-protein kinase JAK
- Tyrosine-protein kinase LCK
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase receptor FLT3
- Tyrosine-protein kinase receptor RET
- Tyrosine-protein kinase receptor UFO
- Tyrosine-protein kinase SRC
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase TIE-2
- Tyrosine-protein kinase TYK2
- Tyrosine-protein kinase YES
- Uridine-cytidine kinase 2
- Urokinase-type plasminogen activator
- Vascular endothelial growth factor receptor 1
- Vascular endothelial growth factor receptor 2
- Vascular endothelial growth factor receptor 3
包装和储存:
- 可选用DMSO耐受的96/384孔板或2D 条形码编码管；
- 干粉蓝冰运输，DMSO溶液干冰运输；
- 排布：96孔板：1st & 12th 空白对照，384孔板：1st & 2nd & 23th & 24th空白对照。