PAD

GSK484 hydrochloride (GTPL8577) 是一种可逆的肽酰基精氨酸脱亚氨酶 4 (PAD4) 抑制剂。它高亲和力与 PAD4 结合，在存在 2 mM 钙和不存在钙的情况下，IC50分别为 250 和 50 nM。GSK484 可以在体内和体外促进结直肠癌（CRC）的放射敏感性并抑制 NET 的形成。

Cl-amidine hydrochloride 是一种口服有效的PAD抑制剂，可阻断组蛋白3去亚胺化和中性粒细胞胞外陷阱的形成，并提高败血症小鼠的存活率。它可诱导癌细胞凋亡，还可诱导 miR-16 引起细胞周期阻滞。

BMS-P5 是一种特异性具有口服活性的肽精氨酸二亚胺酶 4抑制剂。它可阻断多发性骨髓瘤诱导的 NET 形成，并延缓肿瘤进程。

GSK121 Trifluoroacetate 是PAD4的选择性抑制剂。

BMS-P5 free base 是一种特异性，可口服的肽精氨酸二亚胺酶抑制剂，可阻断多发性骨髓瘤诱导的 NET 形成，并延缓肿瘤进程。

GSK199 是可逆的 PAD4选择性抑制剂，当缺少钙离子时，其 IC50值为 200 nM。

KP-302(compound 23)是一种选择性的protein arginine deaminase 2(PAD2)抑制剂，Ki=60 μM，能够逆转多发性硬化症 (MS) 小鼠的身体残疾并清除大脑中的T细胞浸润。

Acefylline (Theophylline-7-acetic acid) 是黄嘌呤衍生物，是一种腺苷受体拮抗剂。它是蛋白质精氨酸脱亚氨酶 (PAD) 激活剂，也是一种支气管扩张剂，可抑制大鼠肺 cAMP 磷酸二酯酶同工酶。

Hydroquinine 是金鸡纳生物碱，可用于制备衍生物（如 C9 脱氢喹啉、9-乙酰氧基-10,11-二氢喹、 10,11-二氢喹单盐酸盐等）。

N-[1-(Aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]benzamide 是Cl-amidine (S 构型)的消旋形式。Cl-amidine 口服有效的 PAD 抑制剂。

Bongkrekic acid (Bongkrekic Acid (ammonium salt)) 是一种由伯克霍尔德菌（Burkholderia gladioli）分泌的线粒体毒素，抑制腺嘌呤核苷酸转位酶 （ANT）。Bongkrekic acid Bongkrekic acid 通过 p38、ERK、PAD4 和 P2X1 介导的信号传导诱导中性粒细胞胞外陷阱。

D-Cl-amidine is an effective and highly selective PAD1 inhibitor. D-Cl-amidine has a good correlation and no obvious toxicity.

PAD-IN-2 是 pad4 的有效抑制剂，IC50 值 <1 μM，能够用于研究自身免疫性疾病和癌症，如类风湿性关节炎、血管炎、系统性红斑狼疮、皮肤红斑狼疮、囊性纤维化、溃疡性结肠炎、哮喘、多发性硬化和牛皮癣。

Cl-amidine is an orally active inhibitor of peptidyl arginine deminase (PAD) (IC50s: 0.8 μM, 6.2 μM, and 5.9 μM for PAD1, PAD3, and PAD4). Cl-amidine induces apoptosis in cancer cells.

PAD4-IN-5 (Example 18) 是一种PAD4抑制剂，在 50 µMCa2+和 1 mMCa2+条件下，对人类PAD4 (hPAD4) 的IC50分别为 ≤10 nM和101-500 nM。PAD4-IN-5 可用于类风湿性关节炎 (RA) 等自身免疫性疾病的研究。

DPQ is an antiviral compound. DPQ has also been shown to bind to a widened RNA major groove at the internal loop. DPQ acts against the H1N1 and H3N2 strains of influenza A as well as influenza B.

PF-3166 (compund PF-3166)，一种具有细胞活性的PAD2抑制剂。

PAD-PF1 是一种PAD4抑制剂，其IC50为15.9 µM。PAD-PF1 结合于PAD-PF1的变构位点，这个位点不同于底物和GSK147结合的位点。

PAD2-IN-1, a benzimidazole-based derivative, is an efficacious and specific inhibitor of protein arginine deiminase 2 (PAD2). Demonstrating remarkable selectivity, PAD2-IN-1 exhibits a 95-fold higher affinity for PAD2 in comparison to PAD4 and a 79-fold higher affinity than PAD3.

Streptonigrin is a natural product produced by Streptomyces flocculus, has both anti-tumor and anti-bacterial activity. Streptonigrin acts as a pan-PAD inhibitor (IC50s: 48.3±34.2 µM, 26.1±0.3 µM, 0.43±0.03 µM, and 2.5±0.4 µM for PAD1, PAD2, PAD3, and PAD

Acefylline piperazine is a stimulant drug of the xanthine chemical class. It acts as an adenosine receptor antagonist. Acephylline piperazine is a theophylline derivative with a direct bronchodilator action. It has the advantages over theophylline in being far less toxic and producing minimal gastric irritation. It is indicated for the treatment of asthma, emphysema, acute and chronic bronchitis associated with bronchospasm.Acefylline relaxes smooth muscles, relieves bronchospasm & has a stimulant effect on respiration. It stimulates the myocardium & central nervous system, decreases peripheral resistance & venous pressure & causes diuresis. The mechanism of action is still not clear, inhibition of phosphodiesterase with a resulting increase in intracellular cyclic AMP does occur, but not apparently at concentrations normally used for clinical effect. Other proposed mechanisms of action include adenosine receptor antagonism, prostaglandin antagonism & effects on intracellular......

BB-Cl-Yne is a cell-permeable derivative of the protein arginine deiminase (PAD) inhibitor BB-Cl-amidine that contains an alkyne moiety for use in click chemistry reactions. BB-CL-Yne inhibits PAD1-4 with Kinact/KI values of 6,400, 3,600, 10,800, and 4,900 M-1min-1, respectively. It has been used for labeling PADs in cell-free and cell-based assays, followed by click reactions with azide-modified TAMRA or biotin reporters.

PAD-IN-3 (Compound 16) 是一种强效抑制肽基精氨酸脱亚氨酶 4 (PAD4) 和 PAD1 的双重抑制剂，其 IC50 值分别为 0.204 μM 和 0.273 μM。PAD-IN-3 具有用于研究癌症和自身免疫疾病等瓜氨酸化相关疾病的潜力。

PAD2/4-IN-1 是一种具有口服活性的PAD2和PAD4抑制剂，其IC50值分别为23和10 nM。该化合物能够抑制中性粒细胞中的蛋白质瓜氨酸化，并减少hERG通道毒性。PAD2/4-IN-1 可用于研究自身免疫性疾病、神经系统疾病和癌症。