Shorter, more effective searches with pre-plated libraries

Description: MEC-18 library, trends in medicinal chemistry   More information

Description: selective target activity profiling (STAP), annotating library for phenotypic screening   More information

Description: Central Nervous System gentle Multi-Parameter Optimization Library for improved BBB-permeability  

Description: Three new iridoid glucosides, 6-O-p-coumaroyl, 6-O-p-methoxycinnamoyl and 6-O-feruloyl ester of scandoside methyl ester, have been isolated along with a known glucoside, asperuloside from the aerial parts of Hedyotis diffusa Willd.   More information

Description: A unique collection of 165 natural compounds used for Hepatoprotective research and Hepatoprotective drug screening   More information

Description: The fragrant flower cones impart bitterness and flavor, and also have preservative qualities. The extract is antimicrobial, which makes it useful for making natural deodorant. Hops also contain the potent phytoestrogen, 8-prenylnaringenin, that may have a relative binding affinity to estrogen receptors. Hop also contains myrcene, humulene, xanthohumol, myrcenol, linalool, tannins, and resin.   More information

Description: A unique collection of 71 Immunomodulators natural compounds for high throughput screening (HTS)   More information

Description: A unique collection of 267 Inhibitor natural compounds   More information

Description: A unique collection of 39 Insecticides natural compounds   More information

Description: Cytotoxicity-guided fractionation of the flowers of Inula britannica led to the isolation of four sesquiterpene lactones. These compounds showed cytotoxicity against human tumor cell lines.   More information

Description: A unique collection of 163 Iridoids natural compounds for high throughput screening (HTS).   More information

Description: Three labdane diterpenes were isolated from the leaves of Leonurus japonicus, in addition to the previously reported preleoheterin. Functions: Smooth menses; Regulate menses; Invigorate blood circulation; Move blood; Reduce masses; Promote urination; Reduce swelling; Disperse phlegm; Disperse edema.   More information

Description: A unique collection of 329 Lignans natural compounds for high throughput screening (HTS)   More information

Description: Seven compounds were separated from the Ligusticum jeholense Nakai extracts. Their structures were identified as levistolide A, xiongterpene, linoleic acid, sucrose, daucosterol, ferulic acid and beta-sitosterol.   More information

Description: Oleanolic acid and ursolic acid are the main bioactive compounds in fruit of Ligustrumlucidum Ait, which possess anti-inflammatory, antioxidative, antiprotozoal, antimutagenic and anticancer properties. In this study, the ultrasound-assisted extraction of oleanolic acid and ursolic acid from L. lucidum Ait was investigated with HPLC-photodiode array detection.    More information

Description: Lindera aggregata is a plant species belonging to the Lindera genus. Lindera aggregata radix lindera, It is an ingredient in the traditional Chinese medicine pill Chaihu Shugan Wan against stagnation of liver qi, distension of chest and hypochondria, indigestion, and acid eructation, and in the Lindera Combination Teapills, a Chinese classic herbal formula.    More information

Description: Liriope muscari is a species of low, herbaceous flowering plants from East Asia.   More information

Description: Lonicera japonica has been used for thousands of years in China. Now, more than 140 chemical compounds have been isolated; and studies show Lonicera japonica possesses wide pharmacological actions. Meanwhile, it could be used as healthy food, ornamental groundcover, etc.   More information

Description: Lycium barbarum fruits have a large variety of biological activities and pharmacological functions and play an important role in preventing and treating various chronic diseases, such as diabetes, hyperlipidemia, cancer, hepatitis, hypo-immunity function, thrombosis, and male infertility.    More information

Description: Lycium chinense Miller extracts may have the possible beneficial effects in Parkinsons disease by attenuating rotenone induced toxicity.   More information

Description: Magnolia officinalis is highly aromatic and contains magnolol and honokiol, two polyphenolic compounds that have demonstrated both anti-anxiety and anti-angiogenic properties. It has also been shown to reduce allergic and asthmatic reactions. Today, the bulk of bark used for commercial and domestic use is supplied by plants in cultivation.   More information

Description: Magnolia officinalis subsp. biloba, a traditional Chinese medicinal plant, experienced severe declines in the number of populations and the number of individuals in the late 20th century due to the widespread harvest of the subspecies.   More information

Description: Ultimate Fragment Library was designed by applying ultimately refined picking approach to our stock screening compound collection. PAINS and in-house developed filtering parameters, such as toxicophore and undesired functionalities, were applied to make up the set of compounds shown here. The total number of compounds in The Life Chemicals Ultimate Fragment Collection amounts to 4,200 items.   More information

Description: Low MW Fragment Library was designed applying a number of physicochemical filters to its General Fragment Collection. The compounds were passed through MedChem and PAINS structural filters. This resulted in a library of 3,000 compounds.   More information

Description: Low MW Fragment Library was designed applying a number of physicochemical filters to its General Fragment Collection. The compounds were passed through MedChem and PAINS structural filters.A refined set of nearly 1,500 fragments was generated by means of more rigorous physicochemical and structural cut-offs.   More information

Description: The libraries of agrochemical-like compounds offered by Life Chemicals were created from our instock compound collection based on their physico-chemicall properties and structural features. Basic drug-likeness parameters (ClogP, number of H-bond donors/acceptors and rotatable bonds) were calculated using SYBYLX software.  

Description: A collection of Natural Product-like Fragments generated via Scaffold Tree approach. Fragments derived from scaffolds showing at least 85 % similarity with the natural product-derived scaffold set mentioned above were included as well. The resulting database was subject to additional structural filtering to give more than 3,200 natural product-like fragments.   More information

Description: The Library was designed using 2D fingerprint similarity filtering of Life Chemicals stock collection using commercial databases of Timetek, Specnet, Analyticon, Selleck as the reference sets. A Tanimoto 85% similarity cut-off was applied to afford about 1,000 stock available compounds.  

Description: Life Chemicals MAP Focused Library is aimed at type I inhibitors that could bind to ATP-binding site of the protein within DFG-in conformation of the activation loop.   

Description: Life Chemicals MAP Focused Library is aimed at type I inhibitors that could bind to ATP-binding site of the protein within DFG-in conformation of the activation loop.   

Description: Inhibitors of PDE10 may potentially treat psychiatric and neurological diseases, including schizophrenia, delusional disorder, anxiety disorders, Alzheimers disease, movement disorders such as Parkinsons and Huntingtons diseases. 427 small molecules were found as potential PDE10 inhibitors from Life Chemicals stock compound collection.  

Description: Life Chemicals have analyzed ten PDB structures of PDK1 inhibitor complexes and selected structure recorded in 1UU3 PDB entry for in silico search of potential inhibitors among Life Chemicals Stock Compound Collection.  

Description: Life Chemicals Peptidomimetic library comprises more than 5,000 a-helix and B-turn mimetics selected with ligand-based approach. This included various similarity analysis techniques, such as structural similarity search to known peptidomimetic inhibitors and scaffolds, 3D shape screening, pharmacophore screening and complex substructure search.  

Description: Applying similarity search method against reference compounds sets from ChEMBL and PubChem databases, Life Chemicals has designed two libraries of small molecule compounds with predicted activity towards phosphatase targets.   

Description: Sharp-Focused Library of potential PI3K Inhibitors as promising anticancer agents  

Description: The X-Ray structure of Human Protein Kinase A with co-crystalized inhibitor (3MVJ PDB entry) with resolution of 2.49 was used for in silico screening of Life Chemicals stock compounds Collection.  

Description: 1,300 advanced stock available compounds extracted by similarity search with Tanimoto threshold 85% against reference set of 20,000 active compounds from ChEMBL database.  

Description: Life Chemicals in-stock compound collection has been searched for compounds similar to ones included in the reference set using MDL public keys and the Tanimoto similarity cut-off 90%. Output compounds were sorted in the order of their similarity to the reference set and predicted activity having the most active compounds placed at the top of the list.   

Description: Fragment-based library focused on inhibition of protein-protein interactions. PPI fragments have TPSA values higher than it was generally claimed when practicing a common approach to fragment-based drug design. The main result is a special chemical space for compounds with a common function of PPI interaction inhibition. More than 2,500 compounds were extracted into The Life Chemicals PPI Fragment Library.   More information

Description: To predict which compounds could affect PPI a machine learning method (decision tree, DT) was used. This method is known to be a useful tool to identify a PPI inhibitor profile.   

Description: The rule was used as a filter to accelerate the process of identification of potential PPI inhibitors and gave rise to the library containing 4,300 compounds. All the compounds were passed through PAINS filters.   

Description: Rho-associated protein kinases (ROCK) are serine/threonine kinases involved in numerous cellular motility regulation processes from cell migration to cellular contractility and control amount of microfilaments. ROCK1 and ROCK2 isoforms have been used as targets in virtual screening performed with Schrodinger software that has also been used for preparation of protein molecule conformations.  

Description: Life Chemicals Library of Bioactive Compounds contains over 8,500 small molecules that have been tested in functional, binding and other biological assays and have confirmed bioactivity in vitro and/or in vivo against various biological targets of pharmaceutical interest.  

Description: Life Chemicals Serine Protease Focused Library includes small molecule analogs of known serine proteinase inhibitors with experimentally determined activity. To design this library, a 2D similarity search method was used.  

Description: Life Chemicals Team has designed Serine Focused Covalent Library on the basis of combination of specific structural fragments (functional groups) that were reported to form covalent bonds with serine residue in binding sites of proteins2-6 and drug-like filters .  

Description: Totally 2,300 Thrombin targeted compounds were extracted from Life Chemicals stock of screening compounds by LASSO tool.   

Description: Trypsin promotes its own production by catalyzing the activation of trypsinogen. 820 compounds from Life Chemicals collection were found to be potential Trypsin inhibitors.  

Description: Life Chemicals VGFR-2 Focused Library comprises potential VEGFR-2 type II inhibitors that could bind to the kinase in DFG-out conformation of the activation loop.  

Description: Veterinary Focused Library of 238 compounds includes full structural analogs or structurally similar compounds to those from the reference set of FDA approved veterinary drugs. For each compound, the similarity information (similarity value and corresponding reference compound from DrugBank) is indicated.  

Description: With use of Binding DB and Pubmed DB a reference set of small organic molecules with activity in 28 PPI assays towards 7 targets was collected. The MDL public keys and the Tanimoto similarity cut-off 90% were applied to Life Chemicals stock collection that afforded almost 23,000 compounds Library.  

Description: About 1,500 compounds were extracted from Life Chemicals stock HTS collection by 2D fingerprint similarity search towards Timbal DB with Tanimoto 85% threshold.  

Description: The Unity Query Model based on 2I04 PDB entry was created as superposition of features of the ligand structure and corresponding residues from the substrate binding groove of PDZ domain of Magi1. Therefore, the final Unity model contained structural elements both from PDZ binding site residues and HPV E6 peptide pharmacophore.   

Description: The screening model was based on 1QLC PDB entry. There are some differences in the binding groove conformation of PDZ domain observed in 2KA9 pdb.   

Description: The docking model created was based on 2KA9 PDB entry. The query features were identified from the key residues of the PDZ domain responsible for ligand binding.   

Description: Several techniques were implemented to create a target-focused library. Combination of docking method and similarity search, against a reference set, gave us about 1,400 compounds available in-stock.   

Description: A unique collection of 2580 approved drugs for high throughput screening (HTS) and high content screening (HCS).   More information

Description: A unique collection of 2582 preclinical and clinical compounds for high throughput screening (HTS) and high content screening (HCS). A useful tool for drug repurposing, the application of known drugs to treat new disease indication.   More information

Description: A unique collection of 6738 bioactive compounds for high throughput screening (HTS) and high content screening (HCS). Bioactivity and safety of some compounds confirmed by preclinical research and clinical trials   More information

Description: A unique collection of 1188 kinase inhibitors for high throughput screening (HTS) and high content screening (HCS).Targets kinases such as RTKs, PI3K, Aurora Kinase, CDK, and MEK.Some inhibitors have been approved by the FDA   More information

Description: A unique collection of 2117 natural products for high throughput screening (HTS) and high content screening (HCS). Structurally diverse, bioactive, and cell permeable   More information

Description: A unique collection of 408 human endogenous metabolites for high-throughput screening and high content screening (HCS). Used for metabonomics and metabolism-related research. For studying human metabolic diseases, exploring the pathogenesis of diseases such as cancer,and opening noval therapeutic ways    More information

Description: A unique collection of 113 small molecule compounds for high throughput screening(HTS) and high content screening (HCS). A useful tool for finding tumor therapeutic mechanism. Abnormal angiogenesis can lead to a variety of diseases and has become a drug target for exploring the pathogenesis of diseases such as cancer, and opening noval therapeutic ways   More information

Description: A unique collection of 490 small molecules for for high throughput screening (HTS) and high content screening (HCS).Targets BACE,?-Secretase,5-HT Receptor,Dopamine Receptor,Adenosine Receptor,etc.Used for exploring the mechanism of Alzheimers disease and looking for new treatments   More information

Description: A unique collection of 308 antibiotics for high-throughput screening and high content screening (HCS).A useful tool for identifying drug target.For studying human diseases, opening up new mechanism and ways to treat human disease   More information

Description: A unique collection of 1966 anti-cancer compounds for multiple cancers: Breast Cancer, Leukemia, Lung Cancer, Lymphoma, etc. All compounds have been reported in the article for tumor research. Used for tumor mechanism research and anti-tumor drug screening   More information

Description: A unique collection of 198 small molecules for for high throughput screening (HTS) and high content screening (HCS).Includes multiple cancer metabolism related targets:mTOR,AMPK,p53,IDH,GLUT,LDHA,etc   More information

Description: A unique collection of 155 small molecules for exploring the development of diabetes. Targets including both type 1 and type 2 diabetes modulators: DPP-4, GPR, Potassium Channel, PPAR, SGLT, etc.   More information

Description: A unique collection of 938 anti-infection compounds with biological activity of antibacterial,antifungal,antiviral,etc. The library mainly includes sulfonamides, aminoglycosides, tetracyclines and macrolides   More information

Description: A unique collection of 700 small molecules used for apoptosis research.Targets Bcl-2,Caspase,p53,TNF-alpha,Mdm2,survivin, etc.   More information

Description: A unique collection of 830 small molecules with autophagy-inducing or autophagy-inhibiting activity. A useful tool for studying the roles of molecules in autophagy. Targets Proteasome, HIF, HDAC, Aurora Kinase, Sirtuin, E3 Ligase, Calcium Channel, mTOR, etc.   More information

Description: A highly value-added library derived through a collaboration with researchers at the MIT Koch Institute. A unique collection of cancer-targeted compounds for high throughput screening (HTS) and high content screening (HCS). Embraces the whole spectrum of cancer targets, from kinases to notch signaling, to metabolic targets   More information

Description: A unique collection of 121 small molecule compounds used for cell cycle and related diseases research. A useful tool for studying human diverse diseases, exploring the pathogenesis of diseases,such as cancer,cardiovascular diseases, etc   More information

Description: A unique collection of 307 small molecule compounds with biological activity used for neurologic research and associated assays. Targets 5-HT Receptor,DHFR,COX,RAAS,AChR etc   More information

Description: A unique collection of 81 covalent Inhibitors for high throughput screening (HTS) and high content screening (HCS). Covalent inhibitors have excellent pharmacokinetic characteristics,and can overcome the resistance generated by mutations   More information

Description: A unique collection of 2837 drugs that are marketed around the world or have passed clinical phase 1 and can be used for high throughput screening (HTS) and high content screening (HCS). Drug repurposing, the application of known drugs to treat new disease indication, holds potential of rapid clinical impact at a lower cost than de novo drug development. Related to oncology, cardiology, anti-inflammatory, immunology, neuropsychiatry, analgesia etc   More information