激酶扫描方法是一种在药物发现中用于评估小分子与多种蛋白激酶相互作用的强大工具。常用技术包括将大量不同激酶固定在固体表面(如微珠)上,然后将其暴露于候选药物中。ChemDiv评估了该技术,并将其应用于图神经网络驱动的预测方法,以筛选可能与目标组中一种或多种激酶结合的化学多样性化合物。在创建该库时,使用了一组通常参与癌症发展的50种激酶。
激酶扫描库包含数千种高选择性和高效的小分子抑制剂,针对与癌症及其他疾病发生和进展相关的关键激酶。通过将50种激酶与近17,000种小分子抑制剂进行测试,结构多样的“命中”化合物为特定治疗领域的重点药物发现项目提供了广泛的候选药物,具有未来临床成功的巨大潜力。
ChemDiv 的激酶扫描库包含近17,000种小分子抑制剂。
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Vadadustat | TAK875 | TAK-779 | Tegobuvir | RN-1734 | BMS-687453 | AM211 | FT011 | BMS754807 | AAI101 | ||
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RPW-24 | SRT1720 hydrochloride | INH6 | SRT 2183 | AMG208 | Pentadecanoic acid | Apiopaeonoside | Pemirolast potassium | L-Anserine nitrate salt | Sodium Picosulfate | ||
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Lercanidipine | Cobicistat | 1-Ethyl-2-benzimidazolinone | ROSIRIDIN | PF-AKT400 | Benzyl alcohol | 1-Methylnicotinamide chloride | MX69 | CVT-10216 | LCL161 | ||
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Tirasemtiv | Roniacol | Rg3039 | Z433927330 | Desloratadine | CH5132799 | 5-Bromoindole | Smurf1-IN-A01 | Halosulfuron-methyl | Piceatannol | ||
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ML346 | SB 4 | Daclatasvir | Daclatasvir dihydrochloride | NADPH (tetracyclohexanamine) | AZD8055 | Vistusertib | PAβN dihydrochloride | HZ1157 | Rotundine | ||
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Thiamet G | B-AP15 | Silmitasertib | Levofloxacin | Pamicogrel | GSK369796 Dihydrochloride | 2-Chloronaphthoquinone | TFAP | Tenovin3 | Azvudine | ||
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Milnacipran hydrochloride | BW-A78U | Tenovin-6 | DL-Normetanephrine hydrochloride | Triclocarban | CUDC101 | Chlorpropham | Mestinon | Zacopride hydrochloride | PF04691502 | ||
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L-Hyoscyamine | Noreugenin | ML-030 | BC-1382 | Gadolinium chloride | Vorolanib | VTP-27999 TFA | GSK0660 | Lomerizine hydrochloride | 8-CHLOROQUINAZOLIN-4(1H)-ONE |