28 Results for "

structure-activity relationship

" in MedChemExpress (MCE) Product Catalog:
Products (28)

28 Results for "structure-activity relationship" in MCE Product Catalog:

Cat. No.: HY-124424
CAS No.: 333415-38-6
Purity:  99.71%
Target:  

Potassium Channel

Research Areas:  

Others Neurological Disease

VU0071063 is a potent and specific Kir6.2/SUR1 opener (EC50=7.44 μM) and can be used for investigating Kir6.2/SUR1 expressed in the pancreas and brain. VU0071063 inhibits insulin secretion by inducing hyperpolarization of β-cell membrane potential. VU0071063 chemotype has a very steep structure-activity relationships .
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Cat. No.: HY-W011231
CAS No.: 74936-72-4
Target:  

Calcium Channel

Research Areas:  

Cardiovascular Disease

DHP-050 is a Felodipine (HY-B0309) analog. DHP-050 can be used to study the structure-activity relationship of 1,4-dihydropyridine (DHP) compounds .
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Cat. No.: HY-176545
CAS No.: 642463-22-7
Target:  

HDAC Sirtuin

Research Areas:  

Others

Z-MAL is a highly efficient and broad-spectrum HDAC substrate. Z-MAL exhibits high conversion activity for class I, II histone deacetylases, and class III SIRT1. Z-MAL can be used in studies on the structure-activity relationship, subtype selectivity, and inhibitor screening of HDAC .
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Cat. No.: HY-P1704
CAS No.: 63798-73-2
Synonyms: 11-Demethylcyclosporin A
Cyclosporin E (11-Demethylcyclosporin A) is a cyclic oligopeptide that can be isolated from fungi such as TTrichoderma polysporum and other imperfect fungi. Cyclosporin E belongs to the Cyclosporins family. Cyclosporin E can be used for studying the structure-activity relationships and molecular dynamic properties of cyclosporin compounds. As a structural control compound, Cyclosporin E holds significant research value in the fields of medicinal chemistry and biophysics .
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Cat. No.: HY-124127
CAS No.: 1125-74-2
Target:  

Parasite

Research Areas:  

Others

Allylpyrocatechol is a compound with antimalarial activity isolated from plants. Its antimalarial activity in vitro and in vivo has been verified, and structure-activity relationship analysis of its analogs has also been performed.
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Cat. No.: HY-W125014
CAS No.: 5661-03-0
Target:  

Drug Intermediate

Octahydrocyclopenta[c]pyrrole is a multifunctional organic compound with significant biological activity and compound development potential. Octahydrocyclopenta[c]pyrrole has shown good application prospects in the fields of anti-inflammatory, anti-tumor and neuroprotection. The unique structure-activity relationship of Octahydrocyclopenta[c]pyrrole provides new ideas for the design of new drugs.
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Cat. No.: HY-126230
CAS No.: 1781233-84-8
Target:  

Endogenous Metabolite

Research Areas:  

Others

PAT-494 is an ATX inhibitor with significant activity in biochemical and plasma assays. PAT-494 can reduce LPA levels in rat plasma through oral administration. The structure-activity relationship study of PAT-494 shows that its binding mode with ATX is novel and it can effectively occupy the hydrophobic pockets and channels of ATX .
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Cat. No.: HY-P2138
CAS No.: 124020-62-8
Target:  

HIV Protease

Research Areas:  

Others

U-85548E is an HIV protease inhibitor with nanomolar affinity for HIV-1 aspartic protease. By studying its structure-activity relationship, a potent nanomolar inhibitor with inhibitory effects on both HIV-1 and HIV-2 proteases was designed, and its binding mode was studied by X-ray crystallography and molecular modeling.
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Cat. No.: HY-103513
CAS No.: 1236105-75-1
Target:  

GABA Receptor

Research Areas:  

Others

GABAA receptor agent 2 (compound 13) is a compound used to study the structure and orthosteric ligand binding of GABA(A) receptors. The relevant model of GABAA receptor agent 2 can be used to understand the details of orthosteric ligand binding, and a detailed binding mode hypothesis was created through structure-activity relationships with two homologous series of orthosteric GABA(A)R antagonists.
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Cat. No.: HY-W140555
CAS No.: 3465-69-8
Research Areas:  

Infection

5,7-Dimethoxyphthalide, a dimethoxy derivative of phthalide, can undergo nucleophilic substitution reactions with functionalized long-chain alkyl iodides. 5,7-Dimethoxyphthalide acts as a synthetic building block to prepare anti-Helicobacter pylori products including CJ molecule and sporotricale methyl ether. 5,7-Dimethoxyphthalide can be utilized for relevant researches on Helicobacter pylori infection and structure-activity relationship (SAR) .
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Cat. No.: HY-157928
Target:  

Keap1-Nrf2

Research Areas:  

Inflammation/Immunology

Keap1-Nrf2-IN-18 (Compound 22) is an orally active Keap1-Nrf2 protein-protein interaction (PPI) inhibitor with good pharmacokinetics (PK) profiles and more potent in vivo activities in rats. Keap1-Nrf2-IN-18 has the strongest inhibitory activity in structure−activity relationship (SAR) study (KD = 0.0029 μM) .
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Cat. No.: HY-116264
CAS No.: 1417737-67-7
Target:  

Ser/Thr Protease

Research Areas:  

Cancer

CatB-IN-1 is an enzyme inhibitor with significant inhibitory activity against tumor invasion. CatB-IN-1 may reduce the invasiveness of tumor cells by regulating intracellular protein metabolism. CatB-IN-1 demonstrates effective anti-invasive ability in cell models and can significantly reduce the invasive ability of MCF-10A neoT cells. The structure-activity relationship study of CatB-IN-1 shows that its design can target multiple functions of cat hepsin B .
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Cat. No.: HY-L927
9,957 compounds

Designed to maximize efficiency in hit discovery and optimization, this compound library is built on a foundation of diverse Bemis-Murcko scaffolds, with each scaffold is represented by two specifically derived molecules. This strategy ensures broad chemical space through scaffold diversity while enabling preliminary functional group exploration. This approach provides early structure-activity relationship (SAR) insights for every scaffold, making it a valuable tool for accelerating drug discovery.

Cat. No.: HY-W141610
CAS No.: 20662-53-7
KBIP is used to study the structure-activity relationships with several potent and selective analogues .
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Cat. No.: HY-117551
CAS No.: 14231-41-5
Synonyms: NSC 524120
Research Areas:  

Metabolic Disease

Tetrahydroaminopterin (NSC 524120) is a tetrahydropteridine analog and the tetrahydro-reduced derivative of aminopterin. Tetrahydroaminopterin is used for studies on phenylalanine hydroxylase cofactor binding and the structure-activity relationship of tetrahydrobiopterin analogs .
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Cat. No.: HY-121623
CAS No.: 1220513-59-6
Target:  

mGluR

Research Areas:  

Others

VU0359516 is a compound that modulates mGluR4 activity, obtained through structure-activity relationship analysis of mGluR4 positive allosteric modulators, with improved potency and efficacy, as well as selectivity for mGluR4.
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Cat. No.: HY-124221
CAS No.: 1166398-85-1
Target:  

Endogenous Metabolite

Research Areas:  

Cancer

Radamide is an inhibitor of Grp94 with anti-migratory activity. Radamide is used to inhibit Grp94-related diseases such as glaucoma, cancer metastasis, and multiple myeloma. Radamide exhibits selective inhibitory activity by acting on the specific structure of Grp94. Radamide derivatives show better potency and selectivity in improved structure-activity relationship studies .
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Cat. No.: HY-183524
CAS No.: 58893-33-7
Target:  

Topoisomerase

Research Areas:  

Cardiovascular Disease

ICRF 192 is a weak DNA topoisomerase II (DNA topoisomerase II) inhibitor with an IC50 of 91 μM. ICRF 192 forms an iron-chelating derivative via ring-opening hydrolysis, which can displace Fe 3+ from the Fe 3+-doxorubicin complex. ICRF 192 is used for studies on the structure-activity relationship of bisdioxopiperazines and the cardiotoxicity of anthracycline drugs .
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Cat. No.: HY-187394
CAS No.: 1425050-80-1
Target:  

Fc Receptor (FcR)

Research Areas:  

Inflammation/Immunology

hIgG-hFc receptor-IN-3 is a protein-protein interaction inhibitor of human immunoglobulin G-human neonatal Fc receptor (hIgG-hFcRn). Identified via virtual ligand screening and optimized through structure-activity relationship studies, hIgG-hFc receptor-IN-3 competitively inhibits the binding of IgG to FcRn, thereby accelerating the clearance of endogenous IgG. hIgG-hFc receptor-IN-3 can be used for the research of autoimmune diseases .
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Cat. No.: HY-167216
CAS No.: 215997-93-6
Target:  

GPR84

Research Areas:  

Inflammation/Immunology

PSB-15160 is a human GPR84 agonist with EC50 values of 0.0800 μM and 4.33 μM, and selectivity versus FFAR1, FFAR4, and arylhydrocarbon receptor. PSB-15160 exhibits biased agonism, ago-allosteric action, and structure-activity relationships differing between cAMP and β-arrestin assays. PSB-15160 shows increased stability relative to the lead structure 3,3'-diindolylmethane .
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