ChemCORE

Compound Collection

CB01 (ChemBridge 1)

Library CB01 was purchased from ChemBridge Corporation ( San Diego, CA). It contains 10,000 compounds on 125 plates, 80 compounds per plate. The columns on the right and left sides of each plate (columns 1 and 12) contain DMSO only. The plates are labeled 10876-11000.

In the master plates, each compound is suspended in DMSO at a concentration of 5 mg/ml, which is approximately 14 mM, since the average molecular weight is 350 g/mol. Plates diluted to 4 mM or 0.4 mM are considered 100X or 10X, respectively.

ChemBridge Corporation has applied proprietary filters and Daylight Tanimoto similarity measures to assure structural diversity and drug-likeness of compounds in this collection. More information on ChemBridge MicroFormat libraries can be found at http://chembridge.com/chembridge/ or contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

CB02 (ChemBridge 2)

Library CB02 was purchased from ChemBridge Corporation ( San Diego, CA). It contains 10,000 compounds on 125 plates, 80 compounds per plate. The columns on the right and left sides of each plate (columns 1 and 12) contain DMSO only. The plates are labeled 10751-10875.

In the master plates, each compound is suspended in DMSO at a concentration of 5 mg/ml, which is approximately 14 mM, since the average molecular weight is 340 g/mol. Plates diluted to 4 mM or 0.4 mM are considered 100X or 10X, respectively.

For structure information visit: JHU compound database

MSSP (Spectrum 1)

Library MSSP was purchased from MicroSource Discovery Inc. (Groton, CT). It contains 2,000 compounds on 25 plates, 80 compounds per plate. The columns on the right and left sides of each plate (columns 1 and 12) contain DMSO only. The plates are labeled 1-25.

In the master plates, each compound is suspended in DMSO at a concentration of 10mM. The average molecular weight of the compounds is 350 g/mol. Plates diluted to 2 mM or 0.1 mM are considered 200X or 10X, respectively.

The library contains known bioactive compounds and natural products and their derivatives. More information on the MicroSource Discovery Spectrum library can be found at http://www.msdiscovery.com/ or contact the ChemCORE at info@hopkinschemcore.org.

For structure information visit: JHU compound database

Sigma LOPAC 1280

Library LOPAC 1280 was purchased from Sigma-Aldrich. It contains 1,280 compounds on 16 96-well plates, 80 compounds per plate. In the master plates, each compound is suspended in DMSO at a concentration of 10mM.

The library contains pharmacologically active compounds for all major target classes, such as GPCRs and kinases. Some of them are marketed drugs. Each of the compounds is available as individual item from Sigma-Aldrich catalog, permitting rapid and guaranteed assess of compounds in follow-up experiments. More information on the LOPAC 1280 library can be found at http://www.sigmaaldrich.com/Area_of_Interest/Chemistry/Drug_Discovery.html or contact the ChemCORE at info@hopkinschemcore.org.

For structure information visit: JHU compound database

ChemBridge CNS-Set

The CNS-Set library ( 50,000 compounds) was developed to facilitate the exploration of compounds which would be more likely to pass the blood brain barrier. The library has a log P between 0-5, a lower molecular weight limit (190-500 instead of 170-700), and utilizes our internal Medicinal Chemistry expertise for hand selecting compounds as well as Chem-X software for pharmacophore diversity quantification. This library is useful not only for CNS therapeutic targets, where a compound's ability to pass the blood brain barrier is critical, but also for general screening conditions where Lipinsky Rule of Five considerations may be important. More information on ChemBridge MicroFormat libraries can be found at http://chembridge.com/chembridge/ or contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

ChemBridge Divert-SET

The DIVERSet library ( 50,000 compounds) is designed as a universal screening library, covering the broadest part of pharmacophore diversity space with the minimum number of compounds. This substantially cuts discovery timescales and cost by reducing the number of compounds that need to be tested. DIVERSet is particularly useful for primary screening against a wide range of biological targets, including those where no structural information is available. More information on ChemBridge MicroFormat libraries can be found at http://chembridge.com/chembridge/ or contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

Comgenex Library

This is a collection of 50,000 Comgenex compounds with superior ADME profile suitable CNS targets. For more information, contact the ChemCORE at info@hopkinschemcore.org .

For structure information visit: JHU compound database

BIOMOL collection

This collection consists of four sub-libraries: protein kinase or phosphatase inhibitors (84 compounds), ion channel collection (70 compounds), neurotransmitters/metablites library (700 compounds) and natural product collection (502 compounds). We currently have two collections: kinase/phosphatace library and neurotransmitter library on site. More information may be found at www.biomol.com

For structure information visit: JHU compound database

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