Lead-like Diversity Library Plus
83 Cited Publications
Customer Review
Based on 83 publication(s) in Google Scholar
A Lead-like, diverse library is the foundation for achieving biological activity diversity. The MCE Lead-like Diverse Library Plus is a further supplement to the 50K Lead-like Compound Library (HY-L901), consisting of over 80,000 lead-like compounds, with an additional 30,000 structurally novel lead-like molecules. These compounds occupy a broader "chemical space", making it a powerful tool for new drug discovery.
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Description & Advantages
• Compounds in this library with a high divesity and broad chemical space coverage.
• Mostly compatible with “Lipinski’s Rule of Five”, with multiple characteristics such as calculated good permeability (-3.2 < logP < 5), oral bioavailability (RotB <= 10), drug transportability (PSA < 120), MW between 300 to 500, number of Hydrogen Bond Donor (HBD) ≤ 5, number of Hydrogen Bond Acceptor (HBA) ≤ 10.
• Passed all associated MedChem filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.
• All compounds are available off the shelf. Pre-plates of 10 mM DMSO solutions, convenient to use.
• LCMS or NMR validated to ensure high purity and quality.
Product Details
Formulation
Consisting of over 80,000 compounds with 50,000 scaffolds (Bemis-Murcko).
Container
96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.
Storage
-80°C
Shipping
Blue ice or dry ice
Publications (83)
Journal Impact Factor
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Journal Impact Factor
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Most Recent
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Signal Transduct Target Ther
Selective depletion of tumor-associated SAMHD1 enhances chemotherapeutic efficacy and antitumor immune responses. [Abstract]2025 Dec 15;10(1):406. PMID: 41392286 -
Signal Transduct Target Ther
Z-DNA-binding protein 1 exacerbates myocardial ischemia‒reperfusion injury by inducing noncanonical cardiomyocyte PANoptosis. [Abstract]2025 Oct 7;10(1):333. PMID: 41052986 -
Chem Rev
2020 Oct 28;120(20):11616-11650. PMID: 32930577 -
Nat Med
2017 Apr 7;23(4):405-408. PMID: 28388612 -
Circulation
Novel CaMKII-δ Inhibitor Hesperadin Exerts Dual Functions to Ameliorate Cardiac Ischemia/Reperfusion Injury and Inhibit Tumor Growth. [Abstract]2022 Apr 12;145(15):1154-1168. PMID: 35317609 -
Nat Commun
Correction of the molecular phenotype of X-linked Dystonia-Parkinsonism reveals a non-canonical function of BRD4. [Abstract]2026 May 5;17(1):4062. PMID: 42086561 -
Nat Commun
2025 Nov 13;16(1):9860. PMID: 41233320 -
Nat Commun
Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease. [Abstract]2020 Sep 4;11(1):4417. PMID: 32887884 -
Nat Commun
Dysregulation of mitochondrial dynamics proteins are a targetable feature of human tumors. [Abstract]2018 Apr 26;9(1):1677. PMID: 29700304 -
J Adv Res
LTX-315 is a novel broad-spectrum antimicrobial peptide against clinical multidrug-resistant bacteria. [Abstract]2025 Jan 9:S2090-1232(24)00621-0. PMID: 39793961 -
Metabolism
2026 Jul:180:156622. PMID: 41997496 -
Mol Cell
2025 Jul 3;85(13):2581-2596.e6. PMID: 40555234 -
Acta Pharm Sin B
Chrysin serves as a novel inhibitor of DGK α/FAK interaction to suppress the malignancy of esophageal squamous cell carcinoma (ESCC). [Abstract]2021 Jan;11(1):143-155. PMID: 33532186 -
J Biomed Sci
STAT3 exacerbates survival of cancer stem-like tumorspheres in EGFR-positive colorectal cancers: RNAseq analysis and therapeutic screening. [Abstract]2018 Aug 2;25(1):60. PMID: 30068339 -
Adv Sci (Weinh)
Agnuside Stabilizes the Complex I Assembly Factor NDUFAF6 to Reinforce Mitochondrial Efficiency and Thermogenic Responsiveness. [Abstract]2026 Jun 16:e16501. PMID: 42299748 -
Adv Sci (Weinh)
Gut Bacterium Lysinibacillus Sphaericus Exacerbates Aspirin-induced Intestinal Injury by Production of Carboxylesterase EstB. [Abstract]2025 Dec 12:e17747. PMID: 41387308 -
Sci Adv
Quantitative prediction of siRNA complexation by ionizable drugs enables their codelivery in nanoparticles. [Abstract]2026 Jun 12;12(24):eaed2731. PMID: 42284421 -
Cancer Lett
2026 Apr 1:642:218300. PMID: 41651400 -
Cell Death Discov
2023 Dec 1;9(1):435. PMID: 38040674 -
Arthritis Rheumatol
Deficiency of cartilage-specific Y-box binding protein 1 represses NF-κB signaling and alleviates osteoarthritis progression. [Abstract]2025 Jul 14. PMID: 40654155 -
Proc Natl Acad Sci U S A
CRISPR screens identify the ATPase VCP as a druggable therapeutic vulnerability in cholangiocarcinoma. [Abstract]2025 Sep 30;122(39):e2519568122. PMID: 40991439 -
Cell Chem Biol
2026 Apr 27:S2451-9456(26)00110-8. PMID: 42049033 -
Cell Chem Biol
An engineered cysteine sensor optimized for high-throughput screening identifies regulators of intracellular thiol levels. [Abstract]2025 Nov 20;32(11):1381-1396.e8. PMID: 41218609 -
Clin Transl Med
Functional genomics pipeline identifies CRL4 inhibition for the treatment of ovarian cancer. [Abstract]2025 Feb;15(2):e70078. PMID: 39856363 -
EMBO Mol Med
In vitro and in vivo drug screens of tumor cells identify novel therapies for high-risk child cancer. [Abstract]2022 Apr 7;14(4):e14608. PMID: 34927798 -
J Cheminform
HAMdb: a database of human autophagy modulators with specific pathway and disease information. [Abstract]2018 Jul 31;10(1):34. PMID: 30066211 -
Cell Rep
A Landscape of Therapeutic Cooperativity in KRAS Mutant Cancers Reveals Principles for Controlling Tumor Evolution. [Abstract]2017 Jul 25;20(4):999-1015. PMID: 28746882 -
Cell Syst
A Library of Phosphoproteomic and Chromatin Signatures for Characterizing Cellular Responses to Drug Perturbations. [Abstract]2018 Apr 25;6(4):424-443.e7. PMID: 29655704 -
Anal Chem
Longitudinal Fragment Profiles Based on Multi-Collision Energy Tandem Mass Spectra Improve the Accuracy of Metabolite Identification in Untargeted Metabolomics. [Abstract]2025 Jul 15;97(27):14349-14360. PMID: 40592760 -
J Med Chem
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions. [Abstract]2018 Jan 11;61(1):360-371. PMID: 29240409 -
Emerg Microbes Infect
A novel transcription and replication-competent virus-like particles system modelling the Nipah virus life cycle. [Abstract]2024 Jun 12:2368217. PMID: 38865205 -
J Invest Dermatol
Combined Cyclin-Dependent Kinase Inhibition Overcomes MAPK/Extracellular Signal-Regulated Kinase Kinase Inhibitor Resistance in Plexiform Neurofibroma of Neurofibromatosis Type I. [Abstract]2022 Mar;142(3 Pt A):613-623.e7. PMID: 34534577 -
Biochem Pharmacol
Givinostat rescues folding of cystathionine beta-synthase and ameliorates murine homocystinuria. [Abstract]2025 Jun 24:239:117079. PMID: 40571220 -
Biochem Pharmacol
High-throughput screening as a drug repurposing strategy for poor outcome subgroups of pediatric B-cell precursor Acute Lymphoblastic Leukemia. [Abstract]2023 Nov:217:115809. PMID: 37717691 -
Life Sci
Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation. [Abstract]2020 Oct 1;258:118228. PMID: 32781071 -
Front Pharmacol
CC-223, NSC781406, and BGT226 Exerts a Cytotoxic Effect Against Pancreatic Cancer Cells via mTOR Signaling. [Abstract]2020 Nov 11;11:580407. PMID: 33343350 -
Bioorg Chem
Discovery of novel TLR4/MD-2 inhibitors: Receptor structure-based virtual screening studies and anti-inflammatory evaluation. [Abstract]2023 Dec:141:106880. PMID: 37783098 -
Int J Antimicrob Agents
Immunomodulator AS101 restores colistin susceptibility of clinical colistin-resistant Escherichia coli and Klebsiella pneumoniae in vitro and in vivo. [Abstract]2024 Aug 5:107285. PMID: 39111708 -
Sci Rep
Unveiling some FDA-approved drugs as inhibitors of the store-operated Ca2+ entry pathway. [Abstract]2017 Oct 16;7(1):12881. PMID: 29038464 -
ACS Infect Dis
Repurposing GSK2018682 Confers Dual Antibacterial and Antibiofilm Activity against Staphylococcus aureus. [Abstract]2026 Feb 13;12(2):623-636. PMID: 41525229 -
iScience
Molecular mechanism of a triazole-containing inhibitor of Mycobacterium tuberculosis DNA gyrase. [Abstract]2024 Sep 16;27(10):110967. PMID: 39429773 -
Epigenetics Chromatin
2020 Aug 3;13(1):31. PMID: 32746900 -
Nanomedicine
Improving lipid nanoparticles delivery efficiency of macrophage cells by using immunomodulatory small molecules. [Abstract]2025 Feb 3:64:102809. PMID: 39904398 -
J Med Virol
Inhibitory effect on SARS-CoV-2 infection of neferine by blocking Ca2+ -dependent membrane fusion. [Abstract]2021 Oct;93(10):5825-5832. PMID: 34061377 -
Toxicol Appl Pharmacol
Drug screening reveals the mechanism of toyocamycin-induced apoptosis in triple-negative breast cancer organoids. [Abstract]2026 Jan:506:117659. PMID: 41314261 -
ACS Chem Biol
Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. [Abstract]2016 Dec 16;11(12):3400-3411. PMID: 27768280 -
ACS Chem Biol
2016 May 20;11(5):1245-54. PMID: 26863403 -
Bioorg Med Chem
Identification of a novel Aurora B inhibitor using the AI-driven drug screening and docking-based traditional screening. [Abstract]2025 Sep 27:131:118423. PMID: 41033076 -
SLAS Discov
An MRC-5 cell based high-throughput, high-content imaging assay to identify hits against Trypanosoma cruzi intracellular parasites. [Abstract]2026 Feb 17:39:100298. PMID: 41713554 -
SLAS Discov
Corelet™ platform: Precision high throughput screening for targeted drug discovery of biomolecular condensates. [Abstract]2025 Apr:32:100224. PMID: 40024444 -
SLAS Discov
2020 Sep;25(8):895-905. PMID: 32567455 -
Biol Reprod
Strong inhibition of neutrophil-sperm interaction in cattle by selective phosphatidylinositol 3-kinase inhibitors. [Abstract]2017 Nov 1;97(5):671-687. PMID: 29036279 -
J Comput Aided Mol Des
Discovery of potent and selective LRRK2 inhibitors with preserved activity against the G2019S mutant via multi-stage virtual screening. [Abstract]2026 Jun 6;40(1):139. PMID: 42249205 -
J Comput Aided Mol Des
Synergistic approach utilizing bioinformatics, machine learning, and traditional screening for the identification of novel CSK inhibitors targeting hepatocellular carcinoma. [Abstract]2025 Nov 8;39(2):119. PMID: 41204015 -
ChemistryOpen
Discovery of Potential GPRC5D Inhibitors through Virtual Screening and Molecular Dynamics Simulations. [Abstract]2025 Sep 7:e202500360. PMID: 40914945 -
J Am Soc Mass Spectrom
2026 Jan 7;37(1):8-12. PMID: 41324382 -
PLoS One
Antibiofilm and antibacterial activity of maslinic acid against Vancomycin-Resistant Enterococci (VRE). [Abstract]2026 Feb 10;21(2):e0342234. PMID: 41666236 -
Reprod Biol
Novel screening approach for stem cell selective inhibitors and their possible translational therapeutic potential for endometriosis. [Abstract]2025 Jan 11;25(1):100992. PMID: 39799809 -
Biochem Biophys Res Commun
Effects of intracellular iron overload on cell death and identification of potent cell death inhibitors. [Abstract]2018 Sep 3;503(1):297-303. PMID: 29890135 -
Biochem Biophys Res Commun
Effects of intracellular iron overload on cell death and identification of potent cell death inhibitors. [Abstract]2018 Sep 3;503(1):297-303. PMID: 29890135 -
In Vitro Cell Dev Biol Anim
The synergistic effect of 5Azadc and TSA on maintenance of pluripotency of chicken ESCs by overexpression of NANOG gene. [Abstract]2016 Apr;52(4):488-96. PMID: 26822431 -
Biol Open
2026 Feb 15;15(2):bio062380. PMID: 41601273 -
bioRxiv
EGFR INHIBITION PROMOTES ENTEROENDOCRINE CELL DIFFERENTIATION CONTRIBUTING TO TREATMENT-ASSOCIATED DIARRHEA. [Abstract]2026 Jun 5:2026.06.02.729650. PMID: 42282735 -
bioRxiv
Discovery of pan-ErbB inhibitors protecting from SARS-CoV-2 replication, inflammation, and lung injury by a drug repurposing screen. [Abstract]2023 May 10:2021.05.15.444128. PMID: 34159337 -
bioRxiv
Morphological Cell Profiling of SARS-CoV-2 Infection Identifies Drug Repurposing Candidates for COVID-19. [Abstract]2020 Dec 7:2020.05.27.117184. PMID: 32577649 -
Acta Med Iran
Precision Medicine Approach to Anaplastic Thyroid Cancer: Advances in Targeted Drug Therapy Based on Specific Signaling Pathways. [Abstract]2017 Mar;55(3):200-208. PMID: 28282720 -
J Biomol Screen
Multiparametric Phenotypic Screening System for Profiling Bioactive Compounds Using Human Fetal Hippocampal Neural Stem/Progenitor Cells. [Abstract]2015 Oct;20(9):1074-83. PMID: 26245650 -
Chem Biol
Systematic Mapping of Kinase Addiction Combinations in Breast Cancer Cells by Integrating Drug Sensitivity and Selectivity Profiles. [Abstract]2015 Aug 20;22(8):1144-55. PMID: 26211361
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