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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
31 Results for "
Prediction
" in MedChemExpress (MCE) Product Catalog:
Products (31)
31 Results for "Prediction" in MCE Product Catalog:
1
1 Cited Publications
Cat. No.: HY-W157689
CAS No.: 49619-58-1
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IDE-IN-2 (Compound 4) is an inhibitor for insulin-degrading enzyme. IDE-IN-2 is predicted to have CYP3A4, CYP2C19, hERG, NADP+, HIF1α and histidine kinase inhibitory activities, and has potential biological activity in anti-diabetic, anti-tumor, anti-bacterial aspects, according to the in silico prediction .
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Cat. No.: HY-N1464A
CAS No.: 25274-27-5
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Cat. No.: HY-113111
CAS No.: 192461-95-3
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11,12-DiHETrE is a dihydroxy fatty acid metabolite of Arachidonic Acid (HY-109590). 11,12-DiHETrE is converted to 11,12-DiHETrE under elevated soluble epoxide hydrolase (sEH) activity, a process closely related to inflammation and oxidative stress. 11,12-DiHETrE can serve as a single biomarker to differentiate between NAFL (non-alcoholic fatty liver disease) and NASH (non-alcoholic steatohepatitis). 11,12-DiHETrE can be used in studies on preterm birth, autism, and pulmonary hypertension .
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PARP-1-IN-2 (compound 11g) is a potent PARP1 inhibitor, with an IC50 of 149 nM, and ADME prediction indicates it has high blood-brain barrier permeability. PARP1-IN-2 shows significantly potent anti-proliferative activity against Human lung adenocarcinoma epithelial cell line A549. PARP1-IN-2 can induce A549 cells apoptosis .
Cat. No.: HY-173313
CAS No.: 3025114-13-7
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Ferroptosis-IN-19 (compound C18) is a strong cellular ferroptosis inhibitor with an IC50 value of 0.097 μM. Ferroptosis-IN-19 shows high metabolic stability and favorable BBB permeability prediction. Ferroptosis-IN-19 has in vivo neuroprotection against ischemic brain injury in mice .
Cat. No.: HY-177767
CAS No.: 960294-74-0
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EY-CBS is a synthetic and rigid cross linker. EY-CBS reacts selectively with cysteines in a-helices, to stabilize the connecting helix. EY-CBS can be used for the study of the structural stability of protein polypeptides .
Cat. No.: HY-178282
CAS No.: 2169271-17-2
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JAK1-IN-19 (Compound 18) is a potent JAK1 inhibitor with IC50s of 0.02, 0.5, 91 and 0.2 nM against JAK1, JAK2, JAK3 and TYK2. JAK1-IN-19 exhibits improved rat and human intrinsic clearance. JAK1-IN-19 can be used for the studies of atopic dermatitis and other autoimmune diseases .
Cat. No.: HY-168511
CAS No.: 2247443-72-5
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DNA Gyrase-IN-13 (compound 1b) is a DNA Gyrase inhibitor. DNA Gyrase-IN-13 has antibacterial activity. DNA Gyrase-IN-13 has an IC50 value of 1.81 μM for Staphylococcus aureus DNA gyrase .
Cat. No.: HY-117831
CAS No.: 19056-78-1
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NSC-79887 is a nucleoside hydrolase (NH) inhibitor with activity against Bacillus anthracis. NSC-79887 is considered a good candidate inhibitor of nucleoside hydrolases for biological testing and further development. The pharmacokinetic (ADMET) prediction of NSC-79887 showed that all physicochemical parameters were within the acceptable range for human use .
Cat. No.: HY-163380
CAS No.: 3038173-64-4
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CA/MAO-B-IN-1 (Compound 78) is a dual inhibitor for human brain carbonic anhydrases (CA) and Monoamine Oxidase-B (MAO-B), with IC50s of 8.8 and 7.0 nM, respectively. CA/MAO-B-IN-1 reveals a human oral absorption of 71.9% through in silico prediction .
Cat. No.: HY-163415
CAS No.: 906728-07-2
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MAO-IN-5 (Compound ZINC000016952895) is a monoamine oxidase (MAO) inhibitor. According to the prediction of Swiss ADME, MAO-IN-5 can inhibit the CYP enzyme family, has blood-brain barrier (BBB) permeability, and has a high gastrointestinal absorption rate. MAO-IN-5 can be used in the study of neurological diseases .
Cat. No.: HY-B1844
CAS No.: 70124-77-5
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Flucythrinate is a synthetic pyrethroid with endocrine suppressive properties. Flucythrinate showed good binding affinity to the vitamin D nuclear receptor (VDR) with a score of -11.0 kcal/mol. Flucythrinate has been proposed as a multi-target ligand that may interact with several proteins associated with breast cancer. The screening method for Flucythrinate showed good accuracy in binding site prediction and affinity estimation .
Cat. No.: HY-147919
CAS No.: 2445277-57-4
Antifungal agent 33 (compound 4e) is a potent antifungal agent. Antifungal agent 33 exhibits remarkable antifungal activity against C. albicans, with a MIC of 16 μg/mL. Antifungal agent 33 shows potent inhibitory activity against Lanosterol 14α-demethylase (CYP51), with an IC50 of 0.19 μg/mL .
Cat. No.: HY-151154
CAS No.: 2820126-37-0
EGFR/HER2/DHFR-IN-1 is a potent anticancer agent with high selectivity against MCF-7 breast cancer cells. EGFR/HER2/DHFR-IN-1 is a multiple inhibitor of EGFR/HER2 kinase and DHFR, with IC50s of 0.153 μM, 0.108 μM, 0.291 μM, respectively. EGFR/HER2/DHFR-IN-1 arrests cell cycle at G1/S and induces cells apoptosis .
Cat. No.: HY-151158
CAS No.: 2820126-28-9
EGFR/HER2-IN-7 is a potent anticancer agent with high selectivity against MCF-7 breast cancer cells. EGFR/HER2-IN-7 is a EGFR/HER2 kinase and DHFR inhibitor, with IC50s of 0.18 μM (EGFR), 0.146 μM (HER2), respectively. EGFR/HER2-IN-7 shows moderate inhibition on DHFR (IC50=0.907 μM) .
Cat. No.: HY-172678
CAS No.: 2064126-76-5
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PUC-10 is a 5-HT6 receptor antagonist with a Ki of 14.6 nM and an IC50 of 32 nM. In silico predictions suggest that PUC-10 is orally active and can cross the blood-brain barrier. PUC-10 can induce autophagy in SH-SY5Y cells by inhibiting the mTOR pathway. PUC-10 can be used in the research of neurological disorders .
Cat. No.: HY-146113
CAS No.: 2667681-85-6
IRAK4-IN-15 (compound 35) is a potent and selective IRAK4 inhibitor with an IC50 of 0.002 µM. IRAK4-IN-15 shows good human PK predictions with low intrinsic clearance. IRAK4-IN-15 shows great synergistic in vitro activity against MyD88/CD79 double mutant ABC-DLBCL in combination with Acalabrutinib. .
Cat. No.: HY-155416
CAS No.: 1101867-17-7
M56-S2 iodide is a SARS-CoV-2 M pro inhibitor (IC50=4.0 μM). M56-S2 iodide showed good oral bioavailability and low toxicity in ADMET prediction. M56-S2 iodide has good drug potential and can be used in antiviral (such as SARS-CoV-2) research .
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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
