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IC50 prediction

" in MedChemExpress (MCE) Product Catalog:

10

Inhibitors & Agonists

1

Screening Libraries

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-147027
    PARP-1-IN-2

    		PARP Caspase Apoptosis Neurological Disease Inflammation/Immunology Cancer
    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 .
    PARP-1-IN-2
  • HY-173313
    Ferroptosis-IN-19

    		Ferroptosis Cardiovascular Disease
    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 .
    Ferroptosis-IN-19
  • HY-163380
    CA/MAO-B-IN-1

    		Carbonic Anhydrase Neurological Disease
    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 .
    CA/MAO-B-IN-1
  • HY-172678
    PUC-10

    		5-HT Receptor mTOR Autophagy Neurological Disease
    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 .
    PUC-10
  • HY-146113
    IRAK4-IN-15

    		IRAK Cancer
    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. .
    IRAK4-IN-15
  • HY-155416
    M56-S2 iodide

    		SARS-CoV Infection
    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 .
    M56-S2 iodide
  • HY-162373
    α-Amylase/α-Glucosidase-IN-10

    		Amylases Glycosidase P-glycoprotein Metabolic Disease
    α-Amylase/α-Glucosidase-IN-10 (compound 5d) is an α-amylase and α-glucosidase inhibitor (IC50: 30.39 μM and 65.1 μM) with potential diabetes inhibitory effects. α-Amylase/α-Glucosidase-IN-10 exhibits high gastrointestinal (GI) absorption in ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) prediction. While α-Amylase/α-Glucosidase-IN-10 acts as a substrate for P-gp and does not cross the blood-brain barrier (BBB), there may be a risk of central nervous system side effects .
    α-Amylase/α-Glucosidase-IN-10
  • HY-163879
    hMAO-B-IN-9

    		Monoamine Oxidase Reactive Oxygen Species (ROS) Ferroptosis Neurological Disease
    hMAO-B-IN-9 (Compound 25c) is a non-competitive inhibitor for monoamine oxidase B (MAO-B) with an IC50 of 1.58 µM (hMAO-B). hMAO-B-IN-9 forms complex with iron ions as a chelator, and inhibits Erastin (HY-15763)-induced ferroptosis. hMAO-B-IN-9 exhibits antioxidant activity by downregulating the level of reactive oxygen species (ROS). hMAO-B-IN-9 improves cognitive function in mice, without significant toxicity (30 mg/kg). hMAO-B-IN-9 is blood-brain barrier permeable, according to the in silico prediction .
    hMAO-B-IN-9
  • HY-148584
    BTK-IN-21

    		Btk Inflammation/Immunology Cancer
    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 .
    BTK-IN-21
  • HY-182763
    EGFR/BRAFV600E-IN-7

    		EGFR Raf Caspase Apoptosis Bcl-2 Family Cancer
    EGFR/BRAFV600E-IN-7 is a dual EGFR and BRAF V600E kinase inhibitor with human IC50 values of 0.12 μM, 0.80 μM, 1.20 μM for EGFR and 0.05 μM, 0.22 μM, 0.78 μM for BRAF V600E.EGFR/BRAFV600E-IN-7 interacts with key ATP-binding site residues of EGFR and BRAF V600E, including hydrogen bonding with EGFR Met769 and BRAF V600E Cys532.EGFR/BRAFV600E-IN-7 induces apoptosis via caspase-3/8/9 activation, modulates Bax and Bcl-2 expression, scavenges free radicals, and exhibits antiproliferative activity against human cancer cell lines.EGFR/BRAFV600E-IN-7 displays drug-likeness with no PAINS/Brenk structural alerts per in silico predictions.EGFR/BRAFV600E-IN-7 can be used for the research of colon cancer, pancreatic cancer, lung cancer, breast cancer .
    EGFR/BRAFV600E-IN-7

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