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
    - CHEMBL137
  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
    - DB00916
  src_id: 2
  src_url: http://drugbank.ca/
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/
  base_id_url_available: 1
  description: The European resource for the collection, organisation and dissemination of data on biological macromolecular structures, including structures of small molecule ligands for proteins.
  name: pdb
  name_label: PDBe
  name_long: PDBe (Protein Data Bank Europe)
    - 2MN
  src_id: 3
  src_url: http://www.ebi.ac.uk/pdbe/
  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)
    - 26683761
  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
    - C07203
  src_id: 6
  src_url: http://www.genome.jp/kegg/ligand.html
  aux_for_url: 0
  base_id_url: http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A
  base_id_url_available: 1
  description: ChEBI is a freely available dictionary of molecular entities focused on 'small' chemical compounds
  name: chebi
  name_label: ChEBI
  name_long: ChEBI (Chemical Entities of Biological Interest).
    - 6909
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
  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
    - SAM001247010
  src_id: 8
  src_url: http://www.nihclinicalcollection.com/
  aux_for_url: 0
  base_id_url: http://zinc.docking.org/substance/
  base_id_url_available: 1
  description: A free database of commercially-available compounds for virtual screening, provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF).  [Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82]
  name: zinc
  name_label: ZINC
  name_long: ZINC
    - ZINC00113442
  src_id: 9
  src_url: http://zinc.docking.org/
  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
    - 511411
  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
    - 1C0687235A3DB5335E4001AA25B4CA34
    - BC057DFE50D8394FE51EE60F95738AC4
  src_id: 11
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
  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
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    - US20050048123
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    - US20090203634
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    - US20100317677
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    - US20100272771
    - EP1250161A2
    - EP0643964A3
    - US20090092550
    - EP1395679A2
    - EP1706415A1
    - EP0404376B1
    - EP0983325B1
    - US4032645
    - EP0328775A1
    - US20040101522
    - US20030232893
    - US6723755
    - EP0805663B1
    - EP1845956A1
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    - EP1345618A2
    - US20070048334
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    - EP0830357A1
    - WO2006121474A1
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    - US6495677
    - US4141992
    - US20050150520
    - EP0974344B1
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    - EP1505989A2
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    - US20080287514
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    - WO2008031846A1
    - EP1917004A2
    - WO1999010021A1
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    - US7074832
    - US20100185174
    - US7628996
    - US7204985
    - US6271256
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    - WO1998039025A2
    - US20090047235
    - EP1461073A2
    - US4494547
    - EP1797109A2
    - EP1339402B1
  src_id: 13
  src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
  aux_for_url: 0
  base_id_url: http://fdasis.nlm.nih.gov/srs/ProxyServlet?mergeData=true&objectHandle=DBMaint&APPLICATION_NAME=fdasrs&actionHandle=default&nextPage=jsp/srs/ResultScreen.jsp&TXTSUPERLISTID=
  base_id_url_available: 1
  description: "The primary goal of the FDA/USP Substance Registration System (SRS) is to unambiguously define all substances present in regulated products. Once a substance has been defined, the SRS assigns a strong identifier that is permanently associated with the substance: a UNII (Unique Ingredient Identifier). This is a a non-proprietary, free, unique, unambiguous, nonsemantic, alphanumeric identifier based on a substances molecular structure and/or descriptive information."
  name: fdasrs
  name_label: FDA SRS
  name_long: FDA/USP Substance Registration System (SRS)
    - 140QMO216E
  src_id: 14
  src_url: http://fdasis.nlm.nih.gov/srs/srs.jsp
  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
    - SCHEMBL23042
  src_id: 15
  src_url: https://www.surechembl.org
  aux_for_url: 0
  base_id_url: http://www.pharmgkb.org/drug/
  base_id_url_available: 1
  description: PharmGKB (Pharmacogenomics Knowledgebase) is a comprehensive resource that curates knowledge about the impact of genetic variation on drug response for clinicians and researchers.
  name: pharmgkb
  name_label: PharmGKB
  name_long: PharmGKB
    - PA450484
  src_id: 17
  src_url: http://www.pharmgkb.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)
    - HMDB15052
  src_id: 18
  src_url: http://www.hmdb.ca
  aux_for_url: 1
      url_id: Metronidazole(Flagyl).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
    - Metronidazole(Flagyl)
  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)
    - 14748179
  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
    - 4173
  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
    - MCULE-6891596695
  src_id: 23
  src_url: https://mcule.com
  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
    - LSM-5628
  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
    - 443-48-1
    - 99616-64-5
  src_id: 26
  src_url: http://actor.epa.gov/actor/faces/ACToRHome.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
    - 50375309
  src_id: 31
  src_url: ~