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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
225 Results for "
Docking
" in MedChemExpress (MCE) Product Catalog:
Products (225)
225 Results for "Docking" in MCE Product Catalog:
Cat. No.: HY-187712
CAS No.: 3056281-16-1
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PD-1/PD-L1-IN-68 is a PD-L1 inhibitor based on a tetrahydroisoquinoline scaffold, with a KD of 21.31 μM for binding to hPD-L1, and it blocks the PD-1/PD-L1 interaction. PD-1/PD-L1-IN-68 restores T cell immune function, thereby promoting the death of PD-L1 + cancer cells. PD-1/PD-L1-IN-68 can be used in studies related to liver cancer .
Cat. No.: HY-W101585
CAS No.: 94-46-2
Synonyms: Isopentyl benzoate
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Isoamyl benzoate (Isopentyl benzoate) is a natural aromatic ester compound. Isoamyl benzoate exhibits free radical scavenging capabilities against DPPH and ABTS, with its IC50 values being 9.55 μg/mL and 7455.54 μM TE/g respectively. Isoamyl benzoate can be used in antioxidant research .
Cat. No.: HY-W717425
CAS No.: 1421677-31-7
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SC-60 is a derivative of Sorafenib (HY-10201). SC-60 exerts its anti-tumor effect by activating the phosphatase activity of SHP-1, thereby inhibiting the STAT3 signaling pathway. SC-60 exhibits strong proliferation inhibitory activity in various hepatocellular carcinoma (HCC) cell lines. SC-60 downregulates the expression of downstream anti-apoptotic proteins (such as Bcl-2, Cyclin D1, Survivin), ultimately inducing caspase-dependent apoptosis. SC-60 significantly inhibits tumor growth in xenograft tumor models. SC-60 can be used for the study of HCC .
Cat. No.: HY-147036
CAS No.: 825647-78-7
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TTP-6171 is a non-covalent inhibitor of Monkeypox virus I7L protease, and it can be used for research on poxvirus infections .
Cat. No.: HY-179607
CAS No.: 2954281-30-0
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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 .
Cat. No.: HY-189149
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BACE1-IN-16 is a BACE1 inhibitor with pIC50 values ranging from 7.09 to 9.70. BACE1-IN-16 can be used for research on Alzheimer's disease .
Cat. No.: HY-N21559
CAS No.: 67172-84-3
Category:
Flavonoids Flavones Morus alba L. Phenols Polyphenols Plants Moraceae
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Cat. No.: HY-148584
CAS No.: 2170788-98-2
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BTK-IN-21 (Compound 12) is a BTK inhibitor with an IC50 of 33 nM. BTK-IN-21 can be used for research in cancer and autoimmunity therapies .
Cat. No.: HY-180539
CAS No.: 380887-90-1
JT71 is an inhibitor of the transcriptional activator MrkH of type III fimbriae in Klebsiella pneumoniae. JT71 reduces the activity of the mrkA promoter in Klebsiella pneumoniae, effectively inhibiting the formation of biofilms by Klebsiella pneumoniae, while not affecting the cell's viability. JT71 can be used for research on Klebsiella pneumoniae infections .
Cat. No.: HY-179620
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AChE-IN-99 (Compound 5a) is an AChE inhibitor. AChE-IN-99 can be used for the research of Alzheimer's disease .
Cat. No.: HY-P11266
CAS No.: 493012-52-5
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Cat. No.: HY-L948
11,491 compounds
PD-1/PD-L1 are key immune checkpoint targets that suppress T-cell-mediated anti-tumor immunity, representing a major focus in cancer immunotherapy. While antibody drugs dominate the clinic, they are limited by administration challenges and immune-related side effects. Small-molecule PD-1/PD-L1 inhibitors, with oral availability, good tissue penetration and low cost, have emerged as a promising next-generation strategy.
A PD-1/PD-L1 lead-like library was built via a five-step virtual screening process. After collecting 8,947 inhibitors from BindingDB and PubChem and filtering by activity and duplicates, AI similarity screening was performed using GeminiMol. Key pharmacophores were extracted from the PPI interface of co-crystal structures, and molecular was screened via a pharmacophore model, effectively enhancing target activity.
Containing 10,000 structurally diverse and drug-like molecules well-matched to the PD-L1 pocket, the library supports virtual docking, high-throughput screening and hit discovery, enabling efficient and rapid development of small-molecule immunotherapies.
Cat. No.: HY-115373
CAS No.: 112105-54-1
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RO314724 is a selective MMP-1 inhibitor. RO314724 chelates to the catalytic zinc ion within the active site of MMP-1 and forms a stable complex with MMP-1. RO314724 can be used for the research of osteoarthritis .
Cat. No.: HY-180541
EGFR-IN-190 (Compound 3o) is an inhibitor that targets both EGFR (IC₅₀ = 0.028 μM) and COX-2 (IC₅₀ = 0.208 μM). EGFR-IN-190 exhibits potent inhibitory activity against MCF-7 cells and induces apoptosis (apoptosis). EGFR-IN-190 can be used for research on breast cancer .
Cat. No.: HY-146280
CAS No.: 2556833-57-7
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mGAT3/4-IN-1 (compound 19b) is a potent mGAT3/mGAT4 inhibitor, with pIC50 values of 5.31 and 5.24, respectively. mGAT3/4-IN-1 exhibits a significant tactile allodynia reduction in diabetic neuropathic mice .
Cat. No.: HY-146281
CAS No.: 2556833-68-0
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mGAT3/4-IN-2 (compound 27b) is a potent mGAT3/mGAT4 inhibitor, with pIC50 values of 5.44 and 5.25, respectively .
Cat. No.: HY-179729
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α-Glucosidase-IN-106 (Compound 17F) is an inhibitor of α-glucosidase with an IC50 of 14.9 μM. α-Glucosidase-IN-106 can effectively inhibit the peak of blood glucose after sucrose loading in normal mice, and shows a more significant anti-hyperglycemic effect in diabetic mice. α-Glucosidase-IN-106 can be used for research on diabetes .
Cat. No.: HY-180114
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NSS-18 is a potent and reversible inhibitor of AChE and MAO-B, with IC50 values of 1.53 and 1.51 μM respectively. NSS-18 can inhibit the self-aggregation of Aβ. NSS-18 inhibits the intracellular generation of ROS induced by Aβ. NSS-18 shows a moderate neuroprotective effect against 6-OHDA (HY-B1081)-induced neurotoxicity. NSS-18 can form chelates with metal ions such as Cu²⁺, Fe³⁺, and Zn²⁺, with the strongest chelation being with Cu²⁺. NSS-18 can be used for the study of Alzheimer's disease .
Cat. No.: HY-149003
CAS No.: 2494001-21-5
PARP1-IN-10 (compound 12c) is a no-cytotoxicity and potent PARP1 inhibitor with an IC50 value of 50.62 nM in vitro. PARP1-IN-10 causes cell cycle arrest at G2/M phase and apoptosis, and enhances the cytotoxicity of temozolomide (TMZ) .
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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
