Small Molecule Collections
YCMD has a number of focused compound collections with known bioactivity. See below for descriptions.
- Selleckchem Kinase Inhibitor Library. A unique collection of 355 inhibitors not found in other kinase inhibitor collections and targetting a wide variety of kinases. Contains many kinase drugs and drug-like compounds. No overlap with our general screening collection.
- MicroSource Gen-Plus
960 compounds arrayed in three 384-well plates. Collection includes small molecules with known bioactivity, including medicines currently in use, and is an excellent library for pilot screening because compounds identified in the collection are often known effectors of the assay or operate through intriguing related pathways.
- MicroSource Pure Natural Products
800 compounds arrayed in three (one half-filled) 384-well plates. Collection includes characterized alkaloids, flavanoids, sterols, terpenes, stilbenes and more!
- NIH Clinical Collection
450 compounds arrayed in two (one half-filled) 384-well plates. Compounds have a history of use in human clinical trials with known safety profiles.
- NCI Oncology Set 2
85 compounds at 10 mM concentration arrayed in a single 384-well plate. This collection includes the most current FDA-approved anticancer drugs and enables cancer research and drug discovery.
- NCI Diversity Set 2
1356 compounds at 10 mM concentration arrayed in five 384-well plates. This set represents the structural diversity of compounds in the National Cancer Institute’s 140,000 compound collection, available for distribution through the Developmental Therapeutic Program repository.
- NCI Mechanistic Diversity Set
774 compounds at 1 mM concentration arrayed in three 384-well plates. This collection was derived from over 37,000 compounds tested in the NCI human tumor 60 cell line screen, and selected to represent a unique profile of growth inhibition relative to other compounds tested (in the 60 cell line screen. )
- NCI Natural Products Set
115 compounds at 500 uM arrayed in a single 384-well plate. Natural products were isolated from plants and marine invertebrates from more than 25 tropical and subtropical countries worldwide.
- Enzo Epigenetics Library
43 compounds arrayed in one quadrant of a single 384-well plate. Compounds include histone deacetylase and sirtuin inhibitors and are well-characterized and annotated to their corresponding target classes.
- Enzo Kinase Inhibitor Library
80 compounds arrayed in one quadrant of a single 384-well plate. Compounds are well-characterized and annotated to their corresponding target kinase.
- Enzo Phosphatase Inhibitor Set
33 known phosphatase inhibitors at 10 mM arrayed in a single 384-well plate. The collection includes inhibitors of important phosphatases such as calcineurin (PP2B), JSP-1, PRL-1, CD45, PP1, PRL-3, CDC25, PP2A, PTEN, and more. The set is ideal for assay validation, and as a reference set for secondary screening.
- MicroSource Pharmakon 1600
1600 compounds arrayed in five 384-well plates at 10 mM concentration. This collection contains 1600 known drugs from US and International Pharmacopeia, where all compounds have reached clinical evaluation and most of the constituent drugs are still in the market. Data provided for each compound define its structure, CAS #, formula, molecular weight, biological profile and generic & market name. For some compounds literature and toxicology information is also available.
- Enzo Ion Channel Ligand Library
The Ion Channel Ligand Library contains 72 ion channel blockers and openers for use in characterizing and identifying ion channels in individual cells or tissue. The compounds arrayed in one quadrant of a single 384-well plate at 10 mM concentration.
- Enzo Bioactive Lipid Library
This library contains 201 bioactive lipids arrayed on one 384-well plate format at 1.0 or 0.1mM concentration, depending on compound. The library is good for screening or identifying recombinant orphan G protein-coupled receptors, target validation, secondary screening, validating new assays and for routine pharmacological applications. The library contains some known agonists & antagonists, endocannabinoids, farnesyl/geranylgeranyl derivates, HETEs deHETEs, hepoxilins, polyunsaturated fatty acids, leukotrienes, lipoxins, LPA & phosphatidic acids, octadecanoids, PAFs, prostaglandins & thromboxanes, retinoids, vitamin D metabolites, sphingolipids.
- Enzo Metabotropic Glutamatergic Ligand Library
The Metabotropic Glutamatergic Ligands Plate contains 56 ligands including endogenous neurotransmitters, agonists, antagonists, and marketed drugs. The library is good for screening or identifying recombinant orphan G protein coupled receptors, target validation, secondary screening, assay development, and other pharmacological applications. Most compounds from this library are provided at 10 mM, however some peptides from the library are supplied at a concentrations of 1mM. This library is arrayed on a single 384-well plate.
- Nuclear Receptor Ligand Library
The Nuclear Receptor Ligand Library contains 76 compounds with defined, putative and potential activity at nuclear receptors, supplied at 10 mM concentration and arrayed into a quadrant on a single 384-well plate. Known receptor agonists and antagonists are included. The library is an ideal tool for chemical genomics, receptor de-orphaning and other routine pharmacological applications.
- Protease Inhibitor Library
The Protease Inhibitor Library includes 53 known protease inhibitors arrayed in one quadrant of a 384-well plate at 10 mM concentration. The library includes inhibitors to a broad range of important proteases and is a convenient and cost-effective way to purchase a panel of protease inhibitors for chemical genomics, assay development, and other applications. It includes inhibitors of: Calpains, TPPII, Neutrophil Elastase, Cathepsins, DPPIV, Caspases, Granzyme B, γ-Secretase, Furin, MMPs, ACE, Kallikrein, Proteasome, Aminopeptidase B, and several others.
- Enzo 640 FDA-approved drugs
This library consists of two 384-well plates containing 640 compounds total at 10 mM concentration. All compounds have known bioactivity, safety & bioavailability.
- Tested in Humans Collection
Our “Tested in Humans” collection currently contains over 90% of medicinally important compounds approved in various regulatory agencies throughout the world (World Appproved Drugs) and which meet certain criteria for screenability. Our “Tested in Humans” collection continues to grow as we add additional compounds with known pharmacology in humans, primarily those compounds with an INN name (International Non-proprietary Name). This collection also includes nutraceuticals such as amino acid supplements. This library consists of three 384-well plates containing 727 compounds at 10 mM concentration.
The Analyticon “Natural Product-like” collection consists of 5000 compounds enriched in sp3 carbon content and inspired by natural products fragments. The Macrocycle collection is 2000 synthetic non-peptide macrocycles comprised of five different chemistries.
Boehringer Ingelheim Open Source Thirty-one bioactive compounds.
YCMD has assembled 140,000 synthetic small molecules from a variety of different commercial vendors. Selection of compound collections aimed to optimize diversity and chemical space, and retain drug like characteristics.
Life Chemicals. YCMD screening collection now includes a new library, “FSP3-enriched” of 25,857 compounds selected within a narrow range of lead-like and drug-like properties. These compounds pass our SMARTS filters as non-reactive, no known pan assay interference compounds (PAINS) and the following physico-chemical properties: MW 250-600, TPSA <140 Angstroms sq., clogP <5, number of hydrogen bond donors <5, sp3/sp2 fraction above 0.45.
20,000 compounds arrayed in 63, 384-well plates. Collection considers 60 proprietary chemical filters and Daylight Tanimoto similarity measures to assure structural diversity within the set.
- ChemBridge CNS-Set
4,960 compounds arrayed in 16, 384-well plates. This collection of small molecules increases the probability of finding hits with oral bio-availability and blood-brain penetration.
- ChemBridge MW-Set
10,000 compounds arrayed in 32, 384-well plates. Collection of compounds with small molecular weights (250-450 D) to provide room for further derivatization.
- ChemBridge DIVERSet
15,040 compounds arrayed in 48, 384-well plates. Collection is rationally selected to represent the broadest region of biologically relevant pharmacophore diversity space.
- ChemBridge primary alcohols and aromatic amines
5,000 compounds arrayed in 16, 384-well plates. Collection of primary alcohols and aromatic amines used in small molecule microarray developmental studies.
- ChemDiv Library
65,000 compounds arrayed in 204, 384-well plates. Collection includes 50,000 molecules representing the scaffolds synthesized by ChemDiv, and 15,000 compounds selected to have at least one primary amine, secondary amine, or primary alcohol, which are also used in small molecule microarray developmental studies.
- Maybridge Diversity
20,000 compounds arrayed in 63, 384-well plates. Collection is a chemically diverse library that has been filtered for those chemical properties consistent with oral availability (small size, numbers of hydrogen bond donors and acceptors).
- Yale Compound Repository is a collection of compounds synthesized by Yale chemists. We are actively building this collection and would be happy to include your compounds. We need mg quantities of each compound, and the structure in ChemDraw format. These compounds are available, free of per assay plate charge, for use in screens by the Yale community.