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Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!2025-02-06
17 Results for "
structure-activity relationship studies
" in MedChemExpress (MCE) Product Catalog:
Products (17)
17 Results for "structure-activity relationship studies" in MCE Product Catalog:
Cat. No.: HY-W011231
CAS No.: 74936-72-4
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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 .
Cat. No.: HY-176545
CAS No.: 642463-22-7
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 .
Cat. No.: HY-P1704
CAS No.: 63798-73-2
Synonyms: 11-Demethylcyclosporin A
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Cat. No.: HY-126230
CAS No.: 1781233-84-8
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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 .
Cat. No.: HY-P2138
CAS No.: 124020-62-8
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Cat. No.: HY-103513
CAS No.: 1236105-75-1
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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.
Cat. No.: HY-157928
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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) .
Cat. No.: HY-116264
CAS No.: 1417737-67-7
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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 .
Cat. No.: HY-117551
CAS No.: 14231-41-5
Synonyms: NSC 524120
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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 .
Cat. No.: HY-124221
CAS No.: 1166398-85-1
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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 .
Cat. No.: HY-183524
CAS No.: 58893-33-7
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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 .
Cat. No.: HY-W051199
CAS No.: 4210-66-6
Synonyms: o-Phosphohomoserine
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Cat. No.: HY-187394
CAS No.: 1425050-80-1
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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 .
Cat. No.: HY-184843
CAS No.: 38063-51-3
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4-Methoxywarfarin (compound 15) is a racemic inhibitor of cytochrome P450 2C9 (CYP2C9). 4-Methoxywarfarin inhibits CYP2C9-catalyzed S-warfarin 7-hydroxylation with a Ki of 11 μM. 4-Methoxywarfarin is applicable to studies related to CYP2C9 inhibition, warfarin metabolism, and the structure-activity relationship of CYP2C9 inhibitors .
Cat. No.: HY-184840
CAS No.: 43064-23-9
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(2-Sulfanylethyl)phosphonic acid (compound 2) is a thiol-containing alkylphosphonic acid inhibitor of purple acid phosphatase (PAP), which inhibits PAP derived from red kidney beans with an IC50 of 3000 μM. The phosphonic acid group of (2-Sulfanylethyl)phosphonic acid acts as a non-hydrolyzable phosphate substrate mimic, and the terminal thiol is designed to enhance interactions with the dinuclear metal active center of PAP. (2-Sulfanylethyl)phosphonic acid can be used in studies related to PAP inhibitors and the structure-activity relationships of dinuclear metal phosphatase inhibition .
Cat. No.: HY-L245
2,248 compounds
At the forefront of innovative drug discovery, every medicinal chemist faces the challenge of rapidly identifying high-quality hit compounds from vast repositories of chemical resources.
The MCE Natural Product Diversity Scaffold Library is the result of a streamlined optimization process built upon our existing natural product collection. Adhering to the rigorous selection principle of "retaining only one representative compound per BMS scaffold", we have concentrated the diversity of thousands of compounds into a high-value, low-redundancy core set containing 2,248 compounds. All compounds are derived from natural sources, inheriting their inherent advantages of structural complexity and drug-likeness. By eliminating redundancy, the library size is significantly reduced without any compromise to chemical diversity. This approach effectively lowers the cost and time required for primary screening while simplifying downstream data analysis and structure-activity relationship (SAR) studies.
Cat. No.: HY-L952
11059 compounds
Chirality can significantly influence drug–target affinity, subtype selectivity, and toxicological profiles. The thalidomide tragedy highlights the profound biological consequences of stereochemistry, making stereochemical evaluation essential in early drug discovery. Three Nobel Prizes in Chemistry—in 2001, 2021, and 2026—have advanced our understanding of chirality, from asymmetric catalysis and stereoselective synthesis to asymmetric autocatalysis and nonlinear effects that explain the propagation and amplification of chiral signals.
Enantiomers (R/S) can exhibit distinct target-binding affinities, subtype selectivity, and pharmacokinetic properties. This library supports enantiomer-specific binding studies using affinity selection–mass spectrometry (AS-MS) and other screening platforms.
Library Highlights: Comprising 2,792 structurally diverse small molecules, the library offers broad chemical space coverage and lead-like physicochemical properties. It supports high-throughput screening across therapeutic targets, hit identification, and preliminary structure–activity relationship (SAR) studies. Complementary stereochemical characterization services facilitate seamless integration into lead optimization programs.
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Protocols
Targeted therapy! The Capetin Prize winning "Click Chemistry" can be used like this!Targeted therapy! The Nobel Prize winning "Click Chemistry" can be used like this!A suitable model is crucial in drug screening experiments. Organs can mimic the three-dimensional functional structure of internal organs, have similar spatial organization to corresponding organs, maintain some key characteristics, and reproduce some physiological functions. They are widely used for modeling and personalized drug screening physiological functions.2025-02-06
