95 Results for "

docking

" in MedChemExpress (MCE) Product Catalog:
Products (95)

95 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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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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1
1 Cited Publications
Cat. No.: HY-W440835
Target:  

Liposome

Research Areas:  

Inflammation/Immunology

DSPE-PEG2000-DBCO is a phospholipid PEG polymer that combines a hydrophobic phospholipid (DSPE), a hydrophilic polyethylene glycol spacer with a molecular weight of 1000 Da, and a reactive click chemistry terminal group (DBCO). DSPE-PEG2000-DBCO migrates to lymph nodes via the endogenous albumin transport system, implants bioorthogonal DBCO docking sites, and enables the enrichment of azide-functionalized vesicles in lymph nodes mediated by click chemistry. DSPE-PEG2000-DBCO can be used in studies related to atherosclerosis .
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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-111355B
CAS No.: 2864-50-8
Purity:  98.22%
Cholesterol sulfate sodium is a naturally occurring, orally active cholesterol derivative that is widely distributed in various tissues and body fluids. Cholesterol sulfate sodium acts as a DOCK2 inhibitor, with IC50 values of 2 μM and 2.9 μM against mouse and human targets, respectively. Cholesterol sulfate sodium restricts excessive neutrophil infiltration and alleviates intestinal inflammation and damage. Cholesterol sulfate sodium serves as an activator of protein kinase C (PKC), which promotes squamous cell differentiation and inhibits skin carcinogenesis. Cholesterol sulfate sodium regulates cholesterol homeostasis and cellular metabolism by activating the AMPK-Sirt1 pathway. Cholesterol sulfate sodium can be used in research related to actinic keratitis, ulcerative colitis, skin cancer, and other conditions .
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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-111355
CAS No.: 1256-86-6
Cholesterol sulfate is a naturally occurring, orally active cholesterol derivative that is widely distributed in various tissues and body fluids. Cholesterol sulfate acts as a DOCK2 inhibitor, with IC50 values of 2 μM and 2.9 μM against mouse and human targets, respectively. Cholesterol sulfate restricts excessive neutrophil infiltration and alleviates intestinal inflammation and damage. Cholesterol sulfate serves as an activator of protein kinase C (PKC), which promotes squamous cell differentiation and inhibits skin carcinogenesis. Cholesterol sulfate regulates cholesterol homeostasis and cellular metabolism by activating the AMPK-Sirt1 pathway. Cholesterol sulfate can be used in research related to actinic keratitis, ulcerative colitis, skin cancer, and other conditions .
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Cat. No.: HY-W440835E
Research Areas:  

Inflammation/Immunology

DSPE-PEG5000-DBCO is a phospholipid PEG polymer that combines a hydrophobic phospholipid (DSPE), a hydrophilic polyethylene glycol spacer with a molecular weight of 5000 Da, and a reactive click chemistry terminal group (DBCO). DSPE-PEG-DBCO migrates to lymph nodes via the endogenous albumin transport system, implants bioorthogonal DBCO docking sites, and enables the enrichment of azide-functionalized vesicles in lymph nodes mediated by click chemistry. DSPE-PEG-DBCO can be used in studies related to atherosclerosis .
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Cat. No.: HY-123035
CAS No.: 877773-32-5
Purity:  99.44%
Target:  

HSP Akt EGFR

Research Areas:  

Endocrinology

Gamendazole, an indazole carboxylic acid (ICA), is an orally active, selective HSP90AB1 (HSP90BETA) and EEF1A1 (eEF1A) inhibitor. Gamendazole binds to the C-terminal nucleotide binding pocket of HSP90 and cause downregulation of clients AKT1 and ERBB2, but stabilizes the HSP90 heterocomplex. Gamendazole specifically inhibits the actin bundling function of EEF1A1, but does not bind to the nucleotide docking pocket nor inhibits the ribosome charging or protein translation functions of EEF1A1. Gamendazole, an antispermatogenic compound with antifertility effects, has the potential for reversible non-hormonal male contraceptive agent research .
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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-Y0260
CAS No.: 13790-39-1
Target:  

Cholinesterase (ChE)

Research Areas:  

Neurological Disease

4-Chloro-6,7-dimethoxyquinazoline is a quinazoline derivative. 4-Chloro-6,7-dimethoxyquinazoline exhibits a significant interaction with the AChE protein (as demonstrated by molecular docking analysis). 4-Chloro-6,7-dimethoxyquinazoline is applicable to research related to Alzheimer's disease .
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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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