2. Search Result
Search Result
Results for "

MD simulations

" in MedChemExpress (MCE) Product Catalog:

12

Inhibitors & Agonists

1

Natural
Products

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-179039
    EGFR-IN-183

    		EGFR Cancer
    EGFR-IN-183 (Compound 5q) is an EGFR inhibitor. EGFR-IN-183 strongly binds to EGFR (T790M/L858R) mutants. EGFR-IN-183 exhibits anti-proliferative activity against MDA-MB-231, with an IC50 value of 16.4 μM. EGFR-IN-183 can be used for research on triple-negative breast cancer .
    EGFR-IN-183
  • HY-155242
    VEGFR-2-IN-36

    		VEGFR Bcl-2 Family Apoptosis Cancer
    VEGFR-2-IN-36 (compound 15) is a VEGFR-2 inhibitor (IC50: 0.067 μM) and inducer of apoptosis with anticancer activity. VEGFR-2-IN-36 upregulates BAX levels and downregulates Bcl-2 levels. VEGFR-2-IN-36 is toxic to cancer cells, MCF-7 (IC50=0.42 μM) and HepG2 (IC50=0.22 μM) .
    VEGFR-2-IN-36
  • HY-169256
    ZINC4497834

    		SARS-CoV Infection
    ZINC4497834 is an inhibitor of SARS-CoV-2 major protease Mpro. ZINC4497834 can be used in anti-COVID19 research .
    ZINC4497834
  • HY-161067
    EGFR-IN-96

    		EGFR Apoptosis Cancer
    EGFR-IN-96 (compound 7a) is a thieno[2,3-d]pyrimidine EGFR inhibitor that can induce apoptosis. EGFR-IN-96 arrests the growth of HepG2 cells in the S phase and G2/M phase, and inhibits the growth of cancer cells bearing EGFR wild-type and EGFR T790M .
    EGFR-IN-96
  • HY-149646
    HDAC6-IN-24

    		HDAC Cancer
    HDAC6-IN-24 (compound N1) is a inhibitor of HDAC6 .
    HDAC6-IN-24
  • HY-178995
    BRAFV600E-IN-3

    		Raf Cancer
    BRAFV600E-IN-3 (Compound AV05) is a BRAF V600E inhibitor with an IC50 value of 0.89 μM. BRAFV600E-IN-3 inhibits the proliferation of melanoma cells. BRAFV600E-IN-3 can be used for the study of melanoma .
    BRAFV600E-IN-3
  • HY-155239
    VEGFR-2-IN-35

    		VEGFR Cancer
    VEGFR-2-IN-35 (compound 7) is a potent VEGFR-2 inhibitor with IC50=37 nM. VEGFR-2-IN-35 inhibits MCF-7 and HCT 116 cancer cells with IC50 values of 10.56 and 7.07 μM, respectively .
    VEGFR-2-IN-35
  • HY-183661
    SCHEMBL12616233

    		SARS-CoV Infection
    SCHEMBL12616233 is a SARS-CoV-2 main protease (MPro) inhibitor. SCHEMBL12616233 binds to the active cavity of SARS-CoV-2 MPro and forms a stable complex. SCHEMBL12616233 can be used for the research of covid-19 .
    SCHEMBL12616233
  • HY-181705
    PROTAC RTA Degrader-1

    		PROTACs Nucleoside Antimetabolite/Analog Metabolic Disease
    PROTAC RTA Degrader-1 (Compound 3A) is a ricin toxin A chain (RTA) PROTAC degrader. PROTAC RTA Degrader-1 forms stable ternary complexes, maintains sustained hydrogen bonding interactions, and exhibits distinct interaction energy. PROTAC RTA Degrader-1 is applicable to research related to ricin toxin poisoning .
    PROTAC RTA Degrader-1
  • HY-181744
    AChE-IN-108

    		Cholinesterase (ChE) Neurological Disease
    AChE-IN-108 is a potent mixed-type acetylcholinesterase (AChE) inhibitor with an in vitro IC50 of 0.17 nM. AChE-IN-108 acts on both free AChE and the enzyme-substrate complex to exert mixed-type inhibition. AChE-IN-108 can be used for the study of acetylcholinesterase inhibition in Alzheimer’s disease (AD) .
    AChE-IN-108
  • HY-W012597
    Monoethyl succinate

    		Biochemical Assay Reagents Others
    Monoethyl succinate is a small molecule ester compound. Monoethyl succinate can be used as a model substrate for polyethylene terephthalate (PET) and poly-(butylene succinate-co-adipate) (PBSA), to simulate the interaction between the PET-degrading enzyme Cut190 and its natural substrates .
    Monoethyl succinate
  • HY-182782
    Analgesic agent-4

    		Adenosine Receptor Neurological Disease
    Analgesic agent-4 is an adenosine A3AR ligand with analgesic/antinociceptive activity. Analgesic agent-4 inhibits writhing responses in mice and exhibits dose-dependent activity in the acetic acid (HY-Y0319)-induced mouse writhing model. Analgesic agent-4 can be used in the research of pain-related diseases .
    Analgesic agent-4

Inquiry Online

Your information is safe with us. * Required Fields.

Salutation

  

Country or Region *

Applicant Name *

 

Organization Name *

Department *

     

Email Address *

 

Product Name *

Cat. No.

  

Requested quantity *

Phone Number *

     

Remarks

Inquiry Online

Inquiry Information

Product Name:
Cat. No.:
Quantity:
MCE Japan Authorized Agent: