22 Results for "

Structure-based drug design

" in MedChemExpress (MCE) Product Catalog:
Products (22)

22 Results for "Structure-based drug design" in MCE Product Catalog:

Cat. No.: HY-I0314
CAS No.: 269410-08-4
1H-Pyrazole-4-boronic acid pinacol ester is a drug intermediate that can be used for the synthesis of Mps1 kinase inhibitors .
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Cat. No.: HY-178760
Target:  

5-HT Receptor

Research Areas:  

Neurological Disease

TGF-8027 is a selective 5-HT2A agonist that can cross the blood-brain barrier. TGF-8027 exhibits EC50s of 3.3 nM, 160 nM and 7600 nM against human 5-HT2A, 5-HT2C and 5-HT2B and exhibits EC50s against mouse 5-HT2A and mouse 5-HT2C of 14 and 210 nM. TGF-8027 can induce a head-shaking response in mice. TGF-8027 can be used to study diseases that target the 5-HT2A receptor (such as depression) .
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Cat. No.: HY-153264
CAS No.: 2439115-08-7
Target:  

Taste Receptor

Research Areas:  

Others

TAS2R14 agonist is a potent TAS2R14 partial agonist with an EC50 of 116.6 ±23.6 nM .
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Cat. No.: HY-179395
CAS No.: 3074990-47-6
Target:  

YAP

Research Areas:  

Cancer

TEAD-IN-23 (Compound 22) is an efficient pan-TEAD inhibitor with an IC50 of 10 nM. TEAD-IN-23 exhibits potent anti-proliferative activity in both NCI-H226 and MSTO-211H. TEAD-IN-23 causes complete tumor regression in the MSTO-211H xenograft tumor model. TEAD-IN-23 can be used for the study of mesothelioma and hepatocellular carcinoma .
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Cat. No.: HY-178285
CAS No.: 1146616-14-9
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-2 (Compound SA9) is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 3.1 μM. VHR-IN-2 can be used for the research of cervical cancer .
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Cat. No.: HY-178292
CAS No.: 1191105-54-0
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-3 (Compound 1) is a selective vaccinia H1-related (VHR) phosphatase inhibitor with a Ki of 0.81 μM. VHR-IN-3 mimics the phosphate group through the sulfonic acid group and competitively binds to the catalytic active center of VHR. VHR-IN-3 can be used for the research of cervical cancer .
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Cat. No.: HY-178296
CAS No.: 1146616-16-1
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-6 is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 74 nM. VHR-IN-6 shows very weaker inhibitory activity against MKP-1 (IC50 = 0.52 μM), CD45 (IC50 = 0.50 μM), Cdc25A (IC50 = 2.8 μM), PTP1B (IC50 = 0.42 μM), and HePTP (IC50 = 0.87 μM). VHR-IN-6 inhibits the proliferation of HeLa cells. VHR-IN-6 can be used for the research of cervical cancer .
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Cat. No.: HY-178297
CAS No.: 1146616-17-2
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-7 is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 71 nM. VHR-IN-7 shows very weaker inhibitory activity against MKP-1 (IC50 = 0.47 μM), CD45 (IC50 = 0.3 μM), Cdc25A (IC50 = 3.4 μM), PTP1B (IC50 = 0.59 μM), and HePTP (IC50 = 1.2 μM). VHR-IN-7 inhibits the proliferation of HeLa cells. VHR-IN-7 can be used for the research of cervical cancer .
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Cat. No.: HY-178301
CAS No.: 1146616-18-3
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-9 is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 270 nM. VHR-IN-9 shows very weaker inhibitory activity against MKP-1 (IC50 = 2.8 μM), CD45 (IC50 = 1.8 μM), Cdc25A (IC50 = > 10 μM), PTP1B (IC50 = 2.2 μM), and HePTP (IC50 = 2.4 μM). VHR-IN-9 inhibits the proliferation of HeLa cells. VHR-IN-9 can be used for the research of cervical cancer .
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Cat. No.: HY-179239
Target:  

METTL3

Research Areas:  

Cancer

METTL3-IN-12 (Compound 15) is a selective METTL3 inhibitor with an IC50 of 50 nM. METTL3-IN-12 exhibits significant anti-proliferative activity in various leukemia cell lines. METTL3-IN-12 can be used for research on leukemia .
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Cat. No.: HY-177756
CAS No.: 2230406-60-5
Target:  

BCL6

Research Areas:  

Cancer

BCL6-IN-11 (Compound 8) is an efficient inhibitor that induces partial degradation of BCL6 with its IC50 value for inhibiting the interaction between BCL6 and its co-inhibitory proteins (such as NCOR1) of 6 nM. BCL6-IN-11 can induce approximately 52% degradation of BCL6 after being treated with 5 μM concentration for 90 minutes, and thus is also classified as a partial degrader. BCL6-IN-11 can be used for the study of lymphoma .
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Cat. No.: HY-178295
CAS No.: 956442-05-0
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-5 is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 78 nM. VHR-IN-5 shows very weaker inhibitory activity against MKP-1 (IC50 = 0.78 μM), CD45 (IC50 = 0.61 μM), Cdc25A (IC50 = 3.4 μM), PTP1B (IC50 = 1.8 μM), and HePTP (IC50 = 1.5 μM). VHR-IN-5 inhibits the proliferation of HeLa cells. VHR-IN-5 can be used for the research of cervical cancer .
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Cat. No.: HY-178303
CAS No.: 1146616-19-4
Target:  

Phosphatase

Research Areas:  

Cancer

VHR-IN-8 (Compound SA8) is a selective vaccinia H1-related (VHR) phosphatase inhibitor with an IC50 of 2.4 μM. VHR-IN-8 can be used for the research of cervical cancer .
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Cat. No.: HY-W800162
CAS No.: 298207-77-9
Target:  

VEGFR

Research Areas:  

Cancer

VEGFR-2-IN-37 (compound 12) is an inhibitor of VEGFR-2. The inhibition rate at 200 μM was approximately 56.9 μM. VEGFR-2-IN-37 is a potential inhibitor of human umbilical vein endothelial cell (HUVEC) proliferation .
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Cat. No.: HY-179721
CAS No.: 923714-61-8
Research Areas:  

Neurological Disease

CCKBR agonist-2 (Compound z-44) is a Gi-preferring CCKBR agonist. CCKBR agonist-2 effectively activates the CCKBR-Gi signaling pathway (EC50 = 0.27 nM), but has almost no activity on Gq and Gs signaling pathways. CCKBR agonist-2 shows no significant protective effect in the mouse Alzheimer's disease model, proving that the simple activation of the Gi signal pathway does not play a dominant role in the improvement of cognitive function .
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Cat. No.: HY-18882
CAS No.: 1357621-20-5
Target:  

p38 MAPK

Research Areas:  

Cancer

P38α-IN-11 (Compound 16c) is a p38α inhibitor with a KD value of 586 nM. P38α-IN-11 can be used for research on cervical cancer .
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Cat. No.: HY-19215
CAS No.: 149394-65-0
Synonyms: PNU-96988
Target:  

HIV HIV Protease

Research Areas:  

Infection

U-96988 (PNU-96988) is a non-peptide HIV-1 protease inhibitor with a Ki value of 38 nM. U-96988 is also effective against HIV-2 protease. U-96988 exhibits an IC50 for HIV-1IIIB of 5 μM. U-96988 can be used for research on HIV infection .
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Cat. No.: HY-179607
CAS No.: 2954281-30-0
Target:  

CCR

Research Areas:  

Inflammation/Immunology Cancer

LUF8100 is a dual-target antagonist of CCR2/CCR5 with pKi values for CCR2 and CCR5 of 5.23 and 4.97 respectively. LUF8100 can be used for research on immune homeostasis and cancer .
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Cat. No.: HY-111103A
CAS No.: 2231440-94-9
Target:  

PAK

Research Areas:  

Cancer

CZh226 hydrochloride is a potent and selective PAK4 inhibitor with an IC50 of 18 nM, and its selectivity for PAK1 is 346 times. The oral bioavailability of CZh226 hydrochloride is poor, and it requires the use of the prodrug PAK4-IN-1 (HY-130628) to improve absorption and metabolic stability. CZh226 hydrochloride can be used for research on colorectal cancer and melanoma .
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Cat. No.: HY-179684
CAS No.: 2921670-99-5
PCC0105005 is a dual-target CGRP Receptor antagonist (IC50 = 1.01 nM) and a partial agonist of 5-HT1F Receptor (EC50 = 77.91 nM). PCC0105005 shows significant efficacy in the rat model of migraine. PCC0105005 significantly reduces the expression of CGRP and c-Fos proteins, and inhibits the phosphorylation levels of ERK and CREB. PCC0105005 can be used for research on migraine .
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