Search Result

Results for "

Structure-activity relationship

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Apoptosis (3) Autophagy (1) Biochemical Assay Reagents (1) Calcium Channel (1) CDK (1) Cytochrome P450 (1) Drug Intermediate (1) Endogenous Metabolite (2) Ferroptosis (1) FLT3 (1) GABA Receptor (1) HDAC (1) HIV Protease (1) IRAK (1) Keap1-Nrf2 (1) Parasite (1) Phosphoglycerate Dehydrogenase (PHGDH) (1) Potassium Channel (1) Ser/Thr Protease (1) Sirtuin (1) TRP Channel (1) Wnt (1)
By Research Areas:	Cancer (7) Cardiovascular Disease (1) Infection (1) Inflammation/Immunology (1) Neurological Disease (1)

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Peptides

Natural
Products

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-W008003

2-Hydroxybenzimidazole	Cytochrome P450	Others
2-Hydroxybenzimidazole is an inactive compound targeting CYP1A1 and is mainly used as a control compound in the structure-activity relationship study of benzimidazole derivatives. 2-Hydroxybenzimidazole does not have the ability to induce CYP1A1 expression like its thiol or amino substituted derivatives .

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Biochemical Assay Reagents	Infection
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 .

HY-124127

Allylpyrocatechol	Parasite	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.

HY-W011231

DHP-050	Calcium Channel	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 .

HY-121623

VU0359516	Others	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.

HY-176545

Z-MAL	HDAC Sirtuin	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 .

HY-W125014

Octahydrocyclopenta[c]pyrrole	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.

HY-P2138

U-85548E	HIV Protease	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.

HY-124221

Radamide	Endogenous Metabolite	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 .

HY-126230

PAT-494	Endogenous Metabolite	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 .

HY-103513

GABAA receptor agent 2	GABA Receptor	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.

HY-124424

VU0071063	Potassium Channel	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 .

HY-157928

Keap1-Nrf2-IN-18	Keap1-Nrf2	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 (K_D = 0.0029 μM) .

HY-116264

CatB-IN-1	Ser/Thr Protease	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 .

HY-120864

SEN461	Wnt	Cancer
SEN461 is a potent and orally active Wnt pathway inhibitor. SEN461 shows effective anti-tumor activity and can be used for GBM research .

HY-176735

FLT3/IRAK4-IN-1	IRAK FLT3 Apoptosis	Cancer
FLT3/IRAK4-IN-1 is a selective FLT3/IRAK4 inhibitor with the remarkable activity towards FLT3-WT (IC₅₀ = 1.95 nM), FLT3-D835Y (IC₅₀ = 3.22 nM) and IRAK4 (IC₅₀ = 53.72 nM). LT3/IRAK4-IN-1 has relatively low toxicity to normal bone marrow cells, can effectively promote cell apoptosis, and has the potential to overcome drug resistance. FLT3/IRAK4-IN-1 can be used for research on acute myeloid leukemia (AML) .

HY-141649

Anticancer agent 251	Apoptosis Autophagy Ferroptosis	Cancer
Anticancer agent 251 (compound 7j) can induce cell death of bladder cancer cell T24 by inducing apoptosis, autophagy or ferroptosis .

HY-176736

CDK9-IN-40	CDK Apoptosis	Cancer
CDK9-IN-40 is a potent and orally active CDK9 inhibitor with an IC₅₀ of 5.5 nM. CDK9-IN-40 shows high selectivity for CDK9 versus CDK1, CDK2, CDK4, and CDK6, respectively. CDK9-IN-40 can arrest cell cycle, induce cell apoptosis and inhibit tumor growth. CDK9-IN-40 exhibits strong anti-cancer activity .

HY-159134

TRPA1-IN-3	TRP Channel	Others
TRPA1-IN-3 (commound 1) is a TRPA1 inhibitor. TRPA1-IN-3 can be used in skin and respiratory tract related research .

HY-145860

PHGDH-IN-2	Phosphoglycerate Dehydrogenase (PHGDH)	Cancer
PHGDH-IN-2 is a potent and NAD ⁺ competitive PHGDH inhibitor with an IC₅₀ of 5.2 µM. PHGDH-IN-2 inhibits the serine synthetic pathway in MDA-MB-468 cells. PHGDH-IN-2 inhibits the growth of PHGDH-dependent cancer cells .

Cat. No.	Product Name

HY-L033

Peptidomimetic Library	372 compounds
Peptidomimetics are compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space and which retain the ability to interact with the biological target and produce the same biological effect. Peptidomimetics are designed to circumvent some of the problems associated with a natural peptide: e.g. stability against proteolysis (duration of activity) and poor bioavailability. Certain other properties, such as receptor selectivity or potency, often can be substantially improved. The design and synthesis of peptidomimetics are most important because of the dominant position peptide and protein-protein interactions play in molecular recognition and signaling, especially in living systems. Hence mimics have great potential in drug discovery. MCE Peptidomimetic Library contains 372 compounds including peptoid, α-helix mimetics, β-turn/sheets mimetics, etc. This library is an indispensable tool of structure-activity relationships in drug discovery.

Peptidomimetic Library

372 compounds

Peptidomimetics are compounds whose essential elements (pharmacophore) mimic a natural peptide or protein in 3D space and which retain the ability to interact with the biological target and produce the same biological effect. Peptidomimetics are designed to circumvent some of the problems associated with a natural peptide: e.g. stability against proteolysis (duration of activity) and poor bioavailability. Certain other properties, such as receptor selectivity or potency, often can be substantially improved. The design and synthesis of peptidomimetics are most important because of the dominant position peptide and protein-protein interactions play in molecular recognition and signaling, especially in living systems. Hence mimics have great potential in drug discovery.

MCE Peptidomimetic Library contains 372 compounds including peptoid, α-helix mimetics, β-turn/sheets mimetics, etc. This library is an indispensable tool of structure-activity relationships in drug discovery.

Cat. No.	Product Name	Type

HY-W008003

2-Hydroxybenzimidazole	Biochemical Assay Reagents
2-Hydroxybenzimidazole is an inactive compound targeting CYP1A1 and is mainly used as a control compound in the structure-activity relationship study of benzimidazole derivatives. 2-Hydroxybenzimidazole does not have the ability to induce CYP1A1 expression like its thiol or amino substituted derivatives .

Cat. No.	Product Name	Target	Research Area

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Biochemical Assay Reagents	Infection
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 .

HY-P2138

U-85548E	HIV Protease	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.

Cat. No.	Product Name	Category	Target	Chemical Structure

HY-P1704

Cyclosporin E 11-Demethylcyclosporin A	Structural Classification Microorganisms Cyclopeptides Source classification	Biochemical Assay Reagents
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 .

Inquiry Online

Your information is safe with us. * Required Fields.

MCE Japan Authorized Agent ナミキ商事株式会社コスモ・バイオ株式会社
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:

Name
Email *

	Sorry, but the email address you supplied was invalid.

Structure-activity relationship

Inhibitors & Agonists

Screening Libraries

Biochemical Assay Reagents

Peptides

NaturalProducts

Natural
Products