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71

抑制剂 & 化合物

2

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T14933	Cetaben	Others	Others
	Cetaben 是不依赖 PPARα 的过氧化物酶体增殖物。它可有效降低胆固醇和甘油三酸酯的浓度，是一种非纤维化降血脂药。
T35862	Cucurbit[8]uril	Others	Others
	Cucurbit[8]uril is a highly effective and safe supramolecular compound that promotes protein heterodimerization. It selectively induces the heterodimerization of methylviologen and naphthalene functionalized proteins, demonstrating its specificity and versatility. Additionally, Cucurbit[8]uril shows exceptional oral activity and low toxicity, making it a promising candidate for various pharmaceutical and biotechnological applications.
T22322	EEDi-5285 UM-EEDi-5285,EEDI5285	Histone Methyltransferase	Chromatin/Epigenetic
	EEDi-5285 是一种非常有效且具有口服活性的胚胎外胚层发育 (EED) 抑制剂，结合 EED 蛋白的 IC50 值为 0.2 nM，并具有抗癌活性。
T16115	MLi-2	LRRK2	Autophagy
	MLi-2 是一种结构新颖、高效、选择性的 LRRK2 激酶抑制剂，具有中枢神经系统活性，IC50为 0.76 nM，有潜力用于帕金森氏病。
T22341	GSK-114	Others	Others
	GSK 114 是口服有活性的、高选择性的TNNI3K 抑制剂 (IC50= 25 nM)。其中TNNI3K (又称 CARK) 是酪氨酸样激酶家族的成员，选择性在心脏组织中表达。它对 TNNI3K 的选择性是 B-Raf 激酶的 40 倍 (IC50= 1 µM)。
T33765	NVX-108 Dodecafluoropentane,DDFP,Perfluoropentane
	NVX-108 is an exceptional oxygen transporter which increases brain tissue oxygen tension (PbtO2) when administered soon after traumatic brain injury (TBI).
T40275	DHPS-IN-1
	DHPS-IN-1, a chemical compound, demonstrates exceptional inhibitory potency against melanoma cells, as evidenced by its IC50 value of 0.014 μM.
T40329	Antifungal agent 14
	Antifungal agent 14 demonstrates potent broad-spectrum antifungal activity, effectively targeting a variety of fungal strains with exceptional minimum inhibitory concentration values.
T40071	Cavα2δ-IN-1
	Cavα2δ-IN-1 demonstrates exceptional specificity for voltage-gated calcium channels Cavα2δ-1 (with a Ki value of 6 nM), in comparison to Cavα2δ-2 (with a Ki value greater than 10,000 nM).
T40077	ATR-IN-9
	ATR-IN-9 is a highly effective inhibitor of Ataxia-telangiectasia and RAD-3-related protein kinase (ATR). With an IC50 value as low as 10 nM, ATR-IN-9 demonstrates exceptional potency.
T28641	S-14671
	S-14671 is a 5-HT1A receptor agonist (pKi = 9.3) with high efficacy and exceptional in vivo potency. S-14671 also acts as a 5-HT2A and 5-HT2C receptor antagonist (both are pKi = 7.8).
T40948	KMG-104
	KMG-104 is a fluorescent magnesium (Mg2+) probe known for its exceptional selectivity. It has been extensively utilized to investigate the mobilization of Mg2+ in the cytoplasm across different cell types.
T40196	PI3Kγ inhibitor 5
	PI3Kγ inhibitor 5 is a potent inhibitor of phosphoinositide 3-kinase γ (PI3Kγ), exhibiting an exceptional IC50 value of 34 nM.
T61402	PGN36
	PGN36 (Compound 18) is a potent and highly selective antagonist of the cannabinoid CB 2 receptor (CB 2 R). It exhibits exceptional affinity for CB 2 R, with a Ki value of 0.09 μM [1].
T40906	2-Nitrosopyridine
	2-Nitrosopyridine is a versatile nitroso compound employed in the synthesis of antibiotics. It serves as a valuable derivatization reagent for Click and Diels-Alder reactions, displaying exceptional dienophile characteristics.
T40051	Acid Ceramidase-IN-1
	Acid Ceramidase-IN-1 is a highly effective and orally bioavailable inhibitor of acid ceramidase (AC, ASAH-1), with an inhibitory concentration (IC50) of 0.166 μM. Additionally, Acid Ceramidase-IN-1 exhibits exceptional brain penetration capabilities in mice.
T74966	Antimicrobial agent-10
	Antimicrobial agent-10 是一种 SARS-CoV-2 抑制剂，具有良好的抗菌活性。
T35661	QTX125
	QTX125, a powerful and highly specific HDAC6 inhibitor, demonstrates exceptional selectivity in comparison to other HDACs, resulting in robust antitumor activity[1].
T38983	Dazucorilant CORT113176
	Dazucorilant (CORT113176) is a non-steroidal glucocorticoid receptor (GR) modulator characterized by its high affinity and selectivity. With an impressive K i value of ＜1 nM in vitro, Dazucorilant proves to be an exceptional compound for investigating neurological disorders.
T38435	RB-OPD RB-OPD,NO-red
	RB-OPD, also known as NO-red, is a fluorescent probe that combines o-phenylenediamine (OPD) and rhodamine nitric oxide (NO). With a λex of 550 nm and a λem of 590 nm, it exhibits exceptional sensitivity and selectivity.
T39572	DDR1-IN-4 DDR1-IN-4
	DDR1-IN-4 (Compound 2.45) is a highly potent inhibitor that selectively targets Discoidin Domain Receptor 1 (DDR1) autophosphorylation. This compound demonstrates exceptional efficacy with IC50 values of 29 nM and 1.9 μM for DDR1 and DDR2, respectively.
T39094	MSC2360844 hemifumarate
	MSC2360844 hemifumarate is a highly potent and orally active compound that acts as a selective inhibitor of PI3Kδ, with an IC50 value of 145 nM. This compound exhibits exceptional selectivity against a comprehensive panel of 278 additional kinases.
T11715	JH-LPH-28	Others	Others
	JH-LPH-28, a sulfonyl piperazine analog, is a potent inhibitor of UDP-2,3-diacylglucosamine pyrophosphate hydrolase LpxH, exhibiting exceptional antibiotic activity with a minimum inhibitory concentration (MIC) value of 0.83 μg/mL.
T38780	GSK2332255B
	GSK2332255B is a highly potent and selective TRPC3 and TRPC6 antagonist, exhibiting IC50 values of 5 nM and 4 nM for rat TRPC3 and rat TRPC6, respectively. Furthermore, GSK2332255B demonstrates exceptional selectivity, surpassing a ≥100-fold difference when compared to other calcium-permeable channels.
T38818	Golgicide A-2 Golgicide A-2,GCA-2
	Golgicide A-2 (GCA-2), a derivative of Golgicide A (GCA), is the highly active enantiomer of GCA. It exhibits exceptional selectivity and efficiency in eradicating An. stephensi larvae, thus making it a valuable tool for researching dengue virus-related diseases.
T61076	Vildagliptin dihydrate
	Vildagliptin dihydrate (LAF237 dihydrate) is a powerful and stable dipeptidyl peptidase IV (DPP-IV) inhibitor, demonstrating selectivity with an IC50 of 3.5 nM in human Caco-2 cells. This compound exhibits exceptional oral bioavailability and significant antihyperglycemic activity [1].
T39090	Uzansertib INCB053914
	Uzansertib (INCB053914) is a potent ATP-competitive pan-PIM kinase inhibitor. It exhibits exceptional inhibitory activity against PIM1, PIM2, and PIM3 with IC50 values of 0.24 nM, 30 nM, and 0.12 nM, respectively. Furthermore, Uzansertib demonstrates significant anti-proliferative effects against an assorted range of hematologic tumor cell lines.
T19386	ITIC	CXCR	Autophagy; GPCR/G Protein; Immunology/Inflammation
	ITIC, a non-fullerene acceptor, demonstrates exceptional thermal stability and exhibits a glass-crystal transition at a significantly lower temperature than its high glass transition temperature (Tg) of 180 °C. Furthermore, ITIC, which is an indacenodithienothiophene-based postfullerene electron acceptor, displays a distinct crystallization behavior, differing substantially from that of fullerenes.
T39251	β-Secretase Inhibitor I
	β-Secretase Inhibitor I is a highly potent inhibitor of the β-secretase enzyme. This compound exhibits exceptional inhibitory activity while also demonstrating a significant reduction in cardiovascular and liver toxicity.
T39085	SEL24-B489 SEL24-B489
	SEL24-B489 is a highly effective and orally bioavailable compound that acts as a robust, type I inhibitor of both PIM and FLT3-ITD. It exhibits exceptional binding affinity with K d values of 2 nM for PIM1, 2 nM for PIM2, and 3 nM for PIM3.
T40223	EEDi-5273
	EEDi-5273 is a highly potent and orally efficacious inhibitor of EED, with an approximate IC50 value of 0.2 nM. This compound exhibits exceptional activity, capable of achieving complete and persistent regression of tumors.
T40317	α/β-Hydrolase-IN-1
	α/β-Hydrolase-IN-1 demonstrates exceptional potency, with MICs of 50 μM (25 μg/mL) against M. smegmatis and 16 μM (8.4 μg/mL) against M. tuberculosis H37Ra, establishing it as a superior compound in this class.
T39432	HKOCl-4 HKOCl-4,BXY2142
	HKOCl-4 (BXY2142) is a rhodol-based yellow fluorescent probe that demonstrates exceptional sensitivity and selectivity in detecting hypochlorous acid. Its absorption wavelength is significantly longer than that of fluorescein-based probes, and it exhibits better pH stability. Notably, HKOCl-4 exhibits excitation at 530 nm and emission at 557 nm.
T75712	Aminocandin
	Aminocandin (HMR 3270) 是一种水溶性的棘白菌素类抗真菌剂 (antifungal)，对 Aspergillus 和 Candidaspp. 具有良好的活性。
T75110	Trametiglue
	Trametiglue 是 Trametinib 的衍生物，通过独特的界面结合相互作用，以前所未有的效力和选择性靶向 KSR-MEK 和 RAF-MEK。
T39206	HKSOX-1m (5/6-mixture)
	HKSOX-1m (5/6-mixture) serves as a mitochondria-targeting O2 fluorescent probe with an excitation/emission wavelength of 509/534nm (green), showcasing exceptional selectivity and sensitivity for O2 across a wide pH spectrum and in the presence of strong oxidants and prevalent reductants within cells.
T61591	SARS-CoV-2-IN-20
	SARS-CoV-2-IN-20 (Compound 1a) is a highly effective inhibitor of SARS-CoV-2, displaying an impressive EC50 value of 6.5 μM. With its exceptional inhibitory properties, SARS-CoV-2-IN-20 holds great potential for advancing research on infectious diseases [1].
T70847	BMS-351
	BMS-351 is a potent and selective, nonsteroidal CYP17A1 lyase inhibitor with robust selectivity over steroidogenic CYPs 21A2 and 11B1. BMS-351 emerges as an outstanding preclinical candidate to treat CRPC and is likely to minimize the side effects of current therapies due to its exceptional selectivity. BMS-351 is potentially useful for the Treatment of Prostate Cancer.
T61629	CK2 inhibitor 3
	CK2 inhibitor 3 is a highly potent inhibitor of protein kinase CK2, exhibiting an IC50 value of 280 nM. It effectively inhibits the intracellular activity of CK2 and displays a notable impact on the viability of tumor cells. Moreover, CK2 inhibitor 3 demonstrates exceptional selectivity among a diverse panel of 320 kinases [1].
T38448	(Rac)-Finerenone (Rac)-Finerenone,(Rac)-BAY 94-8862
	Rac-Finerenone, also known as (Rac)-BAY 94-8862, is the racemate derivative of Finerenone, a selective third-generation nonsteroidal mineralocorticoid receptor antagonist (MR) that is taken orally. With an IC50 value of 18 nM, Finerenone exhibits exceptional selectivity against the glucocorticoid receptor (GR), androgen receptor (AR), and progesterone receptor (>500-fold).
T74703	5'-ODMT cEt G Phosphoramidite (Amidite)
	5'-ODMT cEt G Phosphoramidite Amidite 是一种具有良好安全性及反义活性的有效核酸类似物。
T39430	XMU-MP-3
	XMU-MP-3 is a robust, non-covalent inhibitor of BTK, exhibiting exceptional potency with IC50 values of 10.7 nM and 17.0 nM for BTK WT and BTK C481S mutation, respectively, in the presence of 10 μM ATP. Moreover, XMU-MP-3 elicits apoptosis.
T61850	Adenosine receptor inhibitor 1
	Adenosine receptor inhibitor 1 is a highly potent and selective antagonist of adenosine receptor (AR). It exhibits exceptional affinity for A1 AR, A2A AR, A2B AR, and A3 AR, with respective Ki values of >1000, 68.5, >1000, >1000 nM. This compound demonstrates notable antinociceptive, anti-inflammatory, and peripheral analgesic properties. Therefore, Adenosine receptor inhibitor 1 holds great promise for investigating cancer and neurodegenerative diseases [1].
T39944	HSD1590
	HSD1590 is a highly effective and potent inhibitor of ROCK1 and ROCK2, with IC50 values of 1.22 nM and 0.51 nM, respectively. It demonstrates exceptional binding affinity to ROCK, with Kd values below 2 nM. Moreover, HSD1590 showcases minimal cytotoxicity, making it an ideal compound for various applications.
T38966	PXS-4681A
	PXS-4681A is a powerful, specific, and irreversible inhibitor of semicarbazide-sensitive amine oxidase (SSAO; VAP-1), with an oral activity and a Ki value of 37 nM. It exhibits exceptional selectivity towards related amine oxidases, ion channels, and seven-transmembrane domain receptors. Additionally, PXS-4681A demonstrates potent anti-inflammatory properties.
T61480	NHE3-IN-3
	NHE3-IN-3 (Compound 1) is a potent inhibitor of the isoform 3 of the Na+/H+ exchanger (NHE3). It exhibits pIC50 values of 6.2 and 6.6 against human and rat NHE3, respectively. Furthermore, NHE3-IN-3 showcases exceptional oral bioavailability of 98% in Sprague–Dawley rats [1].
T40044	NEP VDP-green (NEP)
	NEP, a turn-on fluorescent probe employing the intramolecular charge transfer (ICT) mechanism, facilitates the detection of vicinal dithiol-containing proteins (VDPs). Notably, NEP exhibits exceptional selectivity towards VDPs in live cells and in vivo and manifests a robust green fluorescence signal at λ ex /λ em =430/535 nm. Furthermore, NEP bears promise for the potential diagnosis and study of parkinsonism.
T73098	BACE2-IN-1
	BACE2-IN-1 是一种高选择性 BACE2抑制剂, 抑制常数 Ki 为 1.6 nM。BACE2抑制剂可用于 Ⅱ 型糖尿病的研究。
T61415	FLT3/ITD-IN-1
	FLT3/ITD-IN-1 (Compound 1) is a highly potent inhibitor of FLT3 internal tandem duplications (FLT3-ITD). It exhibits remarkable inhibitory effects against FLT3 and FLT3-ITD, with impressive IC50 values of 38.2 nM and 144.1 nM, respectively. Moreover, FLT3/ITD-IN-1 shows exceptional antiproliferative activities against several acute myeloid leukemia cell lines [1].
T61409	CXCR4 antagonist 3
	CXCR4 antagonist 3 (compound 12a), an effective antagonist of CXCR4, exhibits an IC50 of 11 nM. It is a congener of TIQ15, showcasing exceptional properties such as CXCR4 antagonism, CYP 2D6 inhibition, metabolic stability, and permeability. With its potential for research on the human immunodeficiency virus, CXCR4 antagonist 3 holds great promise [1].

化合物

Cat.No: T14933

Target: Others

Cucurbit[8]uril

Cat.No: T35862

Target: Others

Cat.No: T22322

Synonym: UM-EEDi-5285,EEDI5285

Target: Histone Methyltransferase

Cat.No: T16115

Target: LRRK2

Cat.No: T22341

Target: Others

Cat.No: T33765

Synonym: Dodecafluoropentane,DDFP,Perfluoropentane

Cat.No: T40275

Antifungal agent 14

Cat.No: T40329

Cat.No: T40071

Cat.No: T40077

Cat.No: T28641

Cat.No: T40948

PI3Kγ inhibitor 5

Cat.No: T40196

Cat.No: T61402

2-Nitrosopyridine

Cat.No: T40906

Acid Ceramidase-IN-1

Cat.No: T40051

Antimicrobial agent-10

Cat.No: T74966

Cat.No: T35661

Cat.No: T38983

Synonym: CORT113176

Cat.No: T38435

Synonym: RB-OPD,NO-red

Cat.No: T39572

Synonym: DDR1-IN-4

MSC2360844 hemifumarate

Cat.No: T39094

Cat.No: T11715

Target: Others

Cat.No: T38780

Cat.No: T38818

Synonym: Golgicide A-2,GCA-2

Vildagliptin dihydrate

Cat.No: T61076

Cat.No: T39090

Synonym: INCB053914

Cat.No: T19386

Target: CXCR

β-Secretase Inhibitor I

Cat.No: T39251

Cat.No: T39085

Synonym: SEL24-B489

Cat.No: T40223

α/β-Hydrolase-IN-1

Cat.No: T40317

Cat.No: T39432

Synonym: HKOCl-4,BXY2142

Cat.No: T75712

Cat.No: T75110

HKSOX-1m (5/6-mixture)

Cat.No: T39206

SARS-CoV-2-IN-20

Cat.No: T61591

Cat.No: T70847

CK2 inhibitor 3

Cat.No: T61629

(Rac)-Finerenone

Cat.No: T38448

Synonym: (Rac)-Finerenone,(Rac)-BAY 94-8862

5'-ODMT cEt G Phosphoramidite (Amidite)

Cat.No: T74703

Cat.No: T39430

Adenosine receptor inhibitor 1

Cat.No: T61850

Cat.No: T39944

Cat.No: T38966

Cat.No: T61480

Cat.No: T40044

Synonym: VDP-green (NEP)

Cat.No: T73098

Cat.No: T61415

CXCR4 antagonist 3

Cat.No: T61409

Cat. No.	Product Name	Target	Signaling Pathways
T39825	(Rac)-Salvianic acid A (Rac)-丹参素,(Rac)-Danshensu
	(Rac)-Salvianic acid A, also known as (Rac)-Danshensu, is a phenolic acid compound that possesses exceptional radical scavenging and antioxidant properties.
T38515	Ascr#7
	Ascr#7, an ascaroside-based hormonal compound, plays a significant role in nematode physiology. It is specifically expressed throughout the various stages of nematode development. Notably, ascarosides exhibit the capability to initiate the formation of dauer larvae, which are characterized by their long lifespan and exceptional stress resistance.

天然产物

(Rac)-Salvianic acid A

Cat.No: T39825

Synonym: (Rac)-丹参素,(Rac)-Danshensu

Cat.No: T38515

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