211 Results for "

Docking

" in MedChemExpress (MCE) Product Catalog:
Products (211)

211 Results for "Docking" in MCE Product Catalog:

16
16 Publications Verification
Cat. No.: HY-N0451
CAS No.: 480-44-4
Synonyms: 5,7-Dihydroxy-4'-methoxyflavone
Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .
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16
16 Publications Verification
Cat. No.: HY-N0451R
CAS No.: 480-44-4
Synonyms: 5,7-Dihydroxy-4'-methoxyflavone (Standard)
Acacetin (Standard) is the analytical standard of Acacetin. This product is intended for research and analytical applications. Acacetin (5,7-Dihydroxy-4'-methoxyflavone) is an orally active flavonoid derived from Dendranthema morifolium. Acacetin docks in the ATP binding pocket of PI3Kγ. Acacetin causes cell cycle arrest and induces apoptosis and autophagy in cancer cells. Acacetin has potent anti-cancer and anti-inflammatory activity and has the potential for pain-related diseases research .
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15
15 Cited Publications
Cat. No.: HY-103248
CAS No.: 606-58-6
Purity:  99.78%
Synonyms: Vengicide
Toyocamycin (Vengicide) is an adenosine analog produced by Streptomyces diastatochromogenes, acts as an XBP1 inhibitor. Toyocamycin blocks RNA synthesis and ribosome function, and induces apoptosis. Toyocamycin affects IRE1α-XBP1 pathway, and inhibits XBP1 mRNA cleavage with an IC50 value of 80 nM with affecting IRE1α auto-phosphorylation. Toyocamycin specifically inhibits CDK9 with an IC50 value of 79 nM .
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4
4 Cited Publications
Cat. No.: HY-N2025
CAS No.: 57396-78-8
Oroxin A is the major component of an ethanol-water Oroxylum indicum (L.) Kurz (Bignoniaceae) seed extract (OISE). Oroxin A acts as a partial PPARγ agonist that can activate PPARγ transcriptional activation. Oroxin A activates PPARγ by docking into the PPARγ protein ligand-binding domain. Oroxin A also exhibits an inhibitory activity against α-glucosidase and an antioxidant capacity . Oroxin A exerts anti-breast cancer effects by inducing ER stress-mediated senescence .
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3
3 Cited Publications
Cat. No.: HY-110100
CAS No.: 310460-39-0
Purity:  99.94%
Target:  

DOCK

Research Areas:  

Inflammation/Immunology

CPYPP is a DOCK2-Rac1 interaction inhibitor. CPYPP binds to DOCK2 DHR-2 domain and inhibits the guanine nucleotide exchange factor (GEF) activity of DOCK2 DHR-2 for Rac1 in a dose-dependent manner with an IC50 of 22.8 µM. CPYPP also inhibits DOCK180 and DOCK5 and less inhibits DOCK9 .
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3
3 Cited Publications
Cat. No.: HY-139604
CAS No.: 2623158-64-3
Purity:  99.56%
Target:  

MARK Apoptosis

Research Areas:  

Cancer

PCC0208017 is a microtubule affinity regulating kinases (MARK3/MARK4) inhibitor with IC50s of 1.8 and 2.01 nM, respectively. PCC0208017 has much lower inhibitory activity against MARK1 and MARK2, with IC50s of 31.4 and 33.7 nM, respectively. PCC0208017 suppresses glioma progression in vitro and in vivo. PCC0208017 disrupts microtubule dynamics and induces G2/M phase cell cycle arrest and cell apoptosis. PCC0208017 demonstrates robust antitumor activity in vivo and displays good BBB permeability .
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3
3 Cited Publications
Cat. No.: HY-113225B
CAS No.: 103192-46-7
Synonyms: GTP tritris solution (100 mM)
Research Areas:  

Cancer

Guanosine triphosphate tritris (GTP tritris) (100 mM) serves as a vital enhancer of myogenic cell differentiation and plays a critical role in modulating miRNA-myogenic regulator factors. It also facilitates the release of exosomes enriched with guanosine and guanosine-derived molecules, and is regarded as an activated precursor for RNA synthesis. In mitochondrial function, GTP participates in the import of proteins into the matrix, which is essential for various regulated pathways, and is involved in initiating peptide synthesis through the binding of formylmethionyl-tRNA to the ribosome, as well as polypeptide chain elongation. Additionally, GTP acts as a phosphate and pyrophosphate carrier that channels chemical energy into specific biosynthetic pathways. It activates signal transducing G proteins that regulate cellular processes such as proliferation and differentiation, and its hydrolysis by small GTPases, including Ras and Rho, is integral to both proliferation and apoptosis. Furthermore, the small GTPase Rab is instrumental in vesicle docking, fusion, and formation. Beyond signal transduction, GTP is an energy-rich precursor in the enzymatic biosynthesis of DNA and RNA.
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1
1 Cited Publications
Cat. No.: HY-N2414
CAS No.: 514-39-6
Periplogenin is an orally active cardiac glycoside found in Cortex periplocae. Periplogenin can induce ROS production and necroptosis and cause G0/G1 phase arrest. Periplogenin can inhibit pyroptosis by regulating the NLRP3/Caspase-1/GSDMD signaling. Periplogenin suppresses growth of prostate carcinoma cells by docking to an ATP1A1 protein pocket and forming a hydrogen bond with T804. Periplogenin can be used for the researches of cancer, inflammation and immunology, such as prostate carcinoma, rheumatoid arthritis and psoriasis .
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1
1 Cited Publications
Cat. No.: HY-124711
CAS No.: 1996629-79-8
Purity:  99.96%
Target:  

DOCK

Research Areas:  

Cancer

TBOPP is a selective inhibitor of DOCK1 with an IC50 of 8.4 μM. TBOPP binds to the DOCK1 DHR-2 domain with high affinity (Kd of 7.1 μM), has anti-tumor activity for broader types of tumors .
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1
1 Cited Publications
Cat. No.: HY-102078
CAS No.: 303094-67-9
Purity:  99.76%
Target:  

Ras Apoptosis

Research Areas:  

Cancer

ZINC69391, a specific Rac1 inhibitor, interferes with Rac1-GEF interaction by masking Trp56 residue on Rac1 surface. ZINC69391 interferes with the interaction of Rac1 with Dock180 and reduces Rac1-GTP levels. ZINC69391 induces apoptosis, and shows antiproliferative and antimetastatic effects .
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Cat. No.: HY-136177
CAS No.: 95906-11-9
Purity:  99.81%
Tris(2,4-di-tert-butylphenyl)phosphate is an active compound from the leaves of Vitex negundo L. shows anti-inflammatory activity with evidence of inhibition for secretory Phospholipase A2 (sPLA2) through molecular docking .
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Cat. No.: HY-Y0775
CAS No.: 128-08-5
1-Bromo-2,5-pyrrolidinedione is a collagen protein ligand in docking experiments. 1-Bromo-2,5-pyrrolidinedione can be used to study wound healing-related diseases .
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Cat. No.: HY-153128
CAS No.: 4590-86-7
Purity:  96.20%
Target:  

DOCK Drug Derivative

Research Areas:  

Inflammation/Immunology

DOCK2-IN-1 (Compound 3) is an analog of CPYPP (HY-110100) and a DOCK2 inhibitor (IC50 = 19.1 μM). DOCK2-IN-1 binds to the DHR-2 domain of DOCK2 and inhibits its mediated Rac guanine nucleotide exchange factor activity. DOCK2-IN-1 blocks chemokine receptor- and antigen receptor-mediated activation of Rac in lymphocytes. DOCK2-IN-1 significantly inhibits chemotaxis and T cell activation. DOCK2-IN-1 can be used in the research of transplant rejection and organ-specific autoimmune diseases .
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Cat. No.: HY-N4294
CAS No.: 58880-25-4
Arjungenin, a pentacyclic triterpenoid compound, is a FXR agonist. Arjungenin can improve insulin sensitivity by regulating the function of fat cells. Arjungenin exhibits moderate free radical scavenging activity. Arjungenin has growth inhibitory activity against the insect Spilarctia obliqua. Arjungenin has significant antiviral activity against a series of viruses such as chikungunya Virus (CHIKV) .
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Cat. No.: HY-N16395
CAS No.: 96573-43-2
Jensenone is an acylphloroglucinol derivative. Jensenone binds to COVID-19 proteinase in molecular docking studies. Jensenone can be used as a COVID-19 Mpro inhibitor .
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Cat. No.: HY-114645
CAS No.: 1643958-89-7
Purity:  98.49%
Target:  

PDK-1

Research Areas:  

Cancer

PDK1-IN-RS2 is a mimic of peptide docking motif (PIFtide) and is a substrate-selective PDK1 inhibitor with a Kd of 9 μM. PDK1-IN-RS2 suppresses the activation of the downstream kinases S6K1 by PDK1 .
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Cat. No.: HY-124858
CAS No.: 882290-02-0
Purity:  98.96%
Target:  

STAT JAK Apoptosis

Research Areas:  

Cardiovascular Disease Cancer

SC99 is an orally active, selective STAT3 inhibitor targeting JAK2-STAT3 pathway. SC99 docks into the ATP-binding pocket of JAK2. SC99 inhibits phosphorylation of JAK2 and STAT3 with no effects on the other kinases associated with STAT3 signaling. SC99 inhibits platelet activation, aggregation and displays potent anti-myeloma, anti-thrombotic activities .
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Cat. No.: HY-171274
CAS No.: 149775-26-8
Target:  

DOCK

Research Areas:  

Metabolic Disease

DOCK5-IN-1 (Compound 14) is the inhibitor for DOCK5 and exhibits no toxicity (100 μM) in cell RAW264.7 .
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Cat. No.: HY-N10336
CAS No.: 87741-77-3
Notoginsenoside R4 is a ginsenoside that can be isolated from ginseng roots. In the molecular docking results, Notoginsenoside R4 can target STAT3, AKT1, HRAS, VEGFA and CASP3 .
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Cat. No.: HY-163109
CAS No.: 4479-70-3
Target:  

Carbonic Anhydrase

Research Areas:  

Infection

Carbonic anhydrase inhibitor 16 (compound 1) is a dengue protease inhibitor with inhibitory activity against carbonic anhydrase hCA I and hCA II (Ki: 28.5 nM, 2.2 nM) .
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