UCR :: IIGB :: CEPCEB

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Source Information of Compound Structures and Annotations

Total number of CMPs: >5,800,000

Requests for uploading additional compound sets can be sent to the database curator.

• Public Compound Collections

  1. General

     1. NCI: Open Database Compounds (Version Aug 2000), 250,250 CMPs, download 2004-01-05
     2. PubChem: 4,149,030 CMPs, download 2005-09-20
     3. Binding DB: HIV Protease Inhibitors, 257 CMPs, download 2004-02-26

  2. Bioactive and Metabolic Compounds

     1. ChemBank: Bioactives (Version May 2004), 4,669 CMPs, download 2004-06-02
     2. KEGG & ChEBI: KEGG Ligand DB (metabolic CMPs) plus ChEBI's UniProt associations, 11,775 CMPs, download 2004-09-05

• Commercial Compound Collections

  Commercial compound sets can only be included with the provider's approval. We thank all listed vendors for being so generous to make their collections publicly available through the ChemMine service.

  1. HTS Libraries

     1. Aurora Fine Chemicals: E-catalog, 29,519 CMPs, download 2005-05-03
     2. ChemBridge: EXPRESS-Pick, 436,548 CMPs, download 2006-09-08
     3. Enamine: >500,000 CMPs, download 2006-03-01
     4. Specs: SC set, 165,194 CMPs, download 2005-03-01
     5. TimTec: Oversea Stocks, 241,631 CMPs, download 2005-03-01
     6. TimTec: US Stocks, 164,769 CMPs, download 2005-03-01
     7. Vitas-M Laboratory: STK set, 195,684 CMPs, download 2005-03-01
     8. Vitas-M Laboratory: Tulip set, 24,694 CMPs, download 2005-03-01
     9. Asinex: ~350,000 CMPs, considered for download
     10. Octave: ~120,000 CMPs

  2. UCR Screening Libraries

     1. ChemBridge DiverSet: 20,000 CMPs, diversity collection, assembled from many sources
     2. ChemBridge Microformat: 10,000 CMPs, diversity collection, assembled from many sources, UCR stock empty
     3. ChemBridge NovaCore: 10,000 CMPs, diversity collection, parallel synthesis of novel building blocks and scaffolds
     4. Microsource Spectrum collection: 2,000 CMPs, collection of bioactive and natural CMPs
     5. Peakdale: Peakdale 1 from ICCB, 2,816 CMPs, UCR stock empty
     6. Sigma/TimTec MyriaScreen: 10,000 CMPs, diversity collection assembled by TimTec and Sigma

  3. Natural Compound Libraries

     1. Vitas-M Laboratory: Tulip set, 24,694 CMPs, download 2005-03-01