--- 
- 
  aux_for_url: 0
  base_id_url: https://www.ebi.ac.uk/chembldb/compound/inspect/
  base_id_url_available: 1
  description: A database of bioactive drug-like small molecules and bioactivities abstracted from the scientific literature.
  name: chembl
  name_label: ChEMBL
  name_long: ChEMBL
  src_compound_id: 
    - CHEMBL976
  src_id: 1
  src_url: https://www.ebi.ac.uk/chembl/
- 
  aux_for_url: 0
  base_id_url: http://www.drugbank.ca/drugs/
  base_id_url_available: 1
  description: A database that combines drug (i.e. chemical, pharmacological and pharmaceutical) data with drug target (i.e. sequence, structure, and pathway) information.
  name: drugbank
  name_label: DrugBank
  name_long: DrugBank
  src_compound_id: 
    - DB01058
  src_id: 2
  src_url: http://drugbank.ca/
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=
  base_id_url_available: 1
  description: "A subset of the PubChem DB: from the original depositor 'drugs of the future' (Prous)."
  name: pubchem_dotf
  name_label: "PubChem: Drugs of the Future "
  name_long: PubChem ('Drugs of the Future' subset)
  src_compound_id: 
    - 12015327
  src_id: 5
  src_url: http://pubchem.ncbi.nlm.nih.gov/sources/
- 
  aux_for_url: 0
  base_id_url: http://www.genome.jp/dbget-bin/www_bget?
  base_id_url_available: 1
  description: KEGG LIGAND is a composite DB consisting of COMPOUND, GLYCAN, REACTION, RPAIR, RCLASS, and ENZYME DBs, whose entries are identified by C, G, R, RP, RC, and EC numbers, respectively.
  name: kegg_ligand
  name_label: KEGG Ligand
  name_long: KEGG (Kyoto Encyclopedia of Genes and Genomes) Ligand
  src_compound_id: 
    - C07367
  src_id: 6
  src_url: http://www.genome.jp/kegg/ligand.html
- 
  aux_for_url: 0
  base_id_url: ~
  base_id_url_available: 0
  description: Collections of plated arrays of small molecules that have a history of use in human clinical trials. Assembled by the National Institutes of Health (NIH) through the Molecular Libraries Roadmap Initiative
  name: nih_ncc
  name_label: NIH Clinical Collection
  name_long: NIH Clinical Collection
  src_compound_id: 
    - SAM002264632
  src_id: 8
  src_url: http://www.nihclinicalcollection.com/
- 
  aux_for_url: 0
  base_id_url: http://www.emolecules.com/cgi-bin/more?vid=
  base_id_url_available: 1
  description: A free chemical structure search engine containing millions of public domain structures. Pricing, availabilities, and vendor information requires an eMolecules Plus subscription.
  name: emolecules
  name_label: eMolecules
  name_long: eMolecules
  src_compound_id: 
    - 511675
  src_id: 10
  src_url: http://www.emolecules.com/
- 
  aux_for_url: 0
  base_id_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/?sid=
  base_id_url_available: 1
  description: The data are provided by IBM-NIH and include all chemistry extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Identifiers in UniChem are IBM compound identifiers.
  name: ibm
  name_label: IBM Patent System
  name_long: IBM strategic IP insight platform and the National Institutes of Health
  src_compound_id: 
    - 898EC510E895655E3D502C57A01B6D72
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/gxa/query?geneQuery=&exactMatch=true&_exactMatch=on&organism=Any&condition=%22
  base_id_url_available: 1
  description: The Gene Expression Atlas is a semantically enriched database of meta-analysis based summary statistics over a curated subset of ArrayExpress Archive, servicing queries for condition-specific gene expression patterns as well as broader exploratory searches for biologically interesting genes/samples.
  name: atlas
  name_label: Atlas
  name_long: Gene Expression Atlas
  src_compound_id: 
    - Praziquantel
  src_id: 12
  src_url: http://www.ebi.ac.uk/gxa/
- 
  aux_for_url: 0
  base_id_url: http://worldwide.espacenet.com/searchResults?DB=EPODOC&locale=en_EP&ST=advanced&compact=false&PN=
  base_id_url_available: 1
  description: "The data are provided by IBM-NIH and include exact compounds extracted by means of text and image mining from the patent corpus (USPTO, WIPO and EPO) for patent documents published through 31-12-2010. Further filters included removal of: 1. All molecules mapping to > 10,000 patents, 2. Non-organic molecules, 3. Very small molecules (MW < 90, number of atoms < 7). In addition, for structures mapping to > 100 patents, only 100 randomly selected patent identifiers were included. Identifiers in UniChem are patent number identifiers."
  name: ibm_patents
  name_label: IBM Patents
  name_long: IBM strategic IP insight platform and the National Institutes of Health, Patents
  src_compound_id: 
    - WO2007021970A2
    - EP1449435A1
    - WO2010060811A2
    - EP0790988A1
    - WO2003048112A1
    - US20040082549
    - WO2008018086A1
    - WO2006135648A2
    - US20050031547
    - US20040001813
    - EP0750495B1
    - US5223266
    - WO2010148488A1
    - US20060078604
    - WO2003011255A1
    - WO1999015210A2
    - US20050038022
    - US20090036458
    - WO2006133271A2
    - EP0817617B1
    - WO2003091276A2
    - US6538106
    - US20060141007
    - US7122198
    - US20100010093
    - US5565450
    - US7390787
    - US20100323887
    - US20080241273
    - EP1296686B1
    - WO2006111570A2
    - US20030077316
    - US7820627
    - US7250298
    - EP2170321A1
    - US20030083231
    - WO2010077634A1
    - US20070160647
    - EP1694291A2
    - EP1390344B1
    - WO2009040818A1
    - US20030148945
    - WO2008061043A2
    - WO2006044206A2
    - US20050136096
    - US20020004065
    - US20060210633
    - EP1663142A2
    - US6596714
    - EP1814572B1
    - EP1769785B1
    - US20100159001
    - WO2007083316A2
    - US20020128378
    - EP1694291B1
    - EP2219637A1
    - EP2197448A1
    - EP2079454A2
    - WO2003015796A1
    - US4447414
    - WO2007008752A2
    - EP1140952B1
    - EP1802757A2
    - US20100119582
    - US20080125441
    - US20040198901
    - US20100105703
    - WO2008005489A2
    - WO2002053132A1
    - US4855408
    - US7838552
    - EP1610773A2
    - EP1793676A1
    - EP1865942A2
    - US20060183722
    - WO2007061529A1
    - EP2118077A2
    - EP2056875A1
    - WO2005121330A2
    - EP1246613A1
    - US20100160363
    - US20070299043
    - US20040234572
    - US7144878
    - US20050245468
    - WO2001060380A1
    - US4303659
    - WO2002060257A1
    - EP0893453B1
    - EP1033975B1
    - EP2219603A1
    - WO2003029222A1
    - WO1994022913A1
    - US5474785
    - EP0935523A1
    - EP1200138A1
    - EP0836851A1
    - WO2010049454A2
    - EP2104738A2
    - WO2006073457A2
  src_id: 13
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
- 
  aux_for_url: 0
  base_id_url: https://www.surechembl.org/chemical/
  base_id_url_available: 1
  description: SureChEMBL automatically extracts chemistry from the full text of all major patent authorities. Compounds are derived from either chemical names found in text or in chemical depictions. All SureChEMBL compounds are included, except those failing UniChem loading rules.
  name: surechembl
  name_label: SureChEMBL
  name_long: SureChEMBL
  src_compound_id: 
    - SCHEMBL16019896
    - SCHEMBL44153
  src_id: 15
  src_url: https://www.surechembl.org
- 
  aux_for_url: 0
  base_id_url: http://www.hmdb.ca/metabolites/
  base_id_url_available: 1
  description: "The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education. The database is designed to contain or link three kinds of data: 1) chemical data, 2) clinical data, and 3) molecular biology/biochemistry data"
  name: hmdb
  name_label: Human Metabolome Database
  name_long: Human Metabolome Database (HMDB)
  src_compound_id: 
    - HMDB15191
  src_id: 18
  src_url: http://www.hmdb.ca
- 
  aux_for_url: 1
  aux_src: 
    Praziquantel(Biltricide): 
      url_id: Praziquantel(Biltricide).html
  base_id_url: http://www.selleckchem.com/products/
  base_id_url_available: 1
  description: Selleck Chemicals is a supplier of biochemical products, including over 1,000 inhibitor products
  name: selleck
  name_label: Selleck
  name_long: Selleck
  src_compound_id: 
    - Praziquantel(Biltricide)
  src_id: 20
  src_url: http://www.selleckchem.com
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=
  base_id_url_available: 1
  description: "A subset of the PubChem DB: from the original depositor 'Thomson Pharma'."
  name: pubchem_tpharma
  name_label: "PubChem: Thomson Pharma "
  name_long: PubChem ('Thomson Pharma' subset)
  src_compound_id: 
    - 15272465
  src_id: 21
  src_url: http://www.thomson-pharma.com/
- 
  aux_for_url: 0
  base_id_url: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=
  base_id_url_available: 1
  description: A database of normalized PubChem compounds (CIDs) from the PubChem Database.
  name: pubchem
  name_label: PubChem
  name_long: PubChem Compounds
  src_compound_id: 
    - 4891
  src_id: 22
  src_url: http://pubchem.ncbi.nlm.nih.gov
- 
  aux_for_url: 0
  base_id_url: https://mcule.com/
  base_id_url_available: 1
  description: An online drug discovery platform with virtual screening and molecular modelling services.
  name: mcule
  name_label: Mcule
  name_long: Mcule
  src_compound_id: 
    - MCULE-1638759858
  src_id: 23
  src_url: https://mcule.com
- 
  aux_for_url: 0
  base_id_url: http://nmrshiftdb.org/molecule/
  base_id_url_available: 1
  description: An NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users.
  name: nmrshiftdb2
  name_label: NMRShiftDB
  name_long: NMRShiftDB
  src_compound_id: 
    - 20109353
  src_id: 24
  src_url: http://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/js_pane/P-Home
- 
  aux_for_url: 0
  base_id_url: http://life.ccs.miami.edu/life/summary?mode=SmallMolecule&source=LINCS&input=
  base_id_url_available: 1
  description: The LINCS DCIC facilitates and standardized the information relevant to LINCS assays as described in http://www.lincsproject.org/data/data-standards/
  name: lincs
  name_label: LINCS
  name_long: Library of Integrated Network-based Cellular Signatures
  src_compound_id: 
    - LSM-1387
  src_id: 25
  src_url: http://www.lincsproject.org/
- 
  aux_for_url: 0
  base_id_url: http://actor.epa.gov/actor/GenericChemical?casrn=
  base_id_url_available: 1
  description: ACToR (Aggregated Computational Toxicology Resource)
  name: actor
  name_label: ACToR
  name_long: ACToR
  src_compound_id: 
    - 55268-74-1
    - 135526-78-2
    - 57452-31-0
  src_id: 26
  src_url: http://actor.epa.gov/actor/faces/ACToRHome.jsp
- 
  aux_for_url: 0
  base_id_url: http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp?CONTENT=syosai&SN=
  base_id_url_available: 1
  description: " Nakkaji (The Japan Chemical Substance Dictionary) is an organic compound dictionary database prepared by the Japan Science and Technology Agency (JST)."
  name: nikkaji
  name_label: Nikkaji
  name_long: Nikkaji
  src_compound_id: 
    - J457.026J
    - J2.787A
  src_id: 29
  src_url: " http://nikkajiweb.jst.go.jp/nikkaji_web/pages/top_e.jsp"
- 
  aux_for_url: 0
  base_id_url: http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=
  base_id_url_available: 1
  description: A public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of protein considered to be drug-targets with small, drug-like molecules
  name: bindingdb
  name_label: BindinDB
  name_long: BindinDB
  src_compound_id: 
    - 74574
  src_id: 31
  src_url: ~