--- 
- 
  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: 
    - CHEMBL81
  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: 
    - DB00481
  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)
  src_compound_id: 
    - RAL
  src_id: 3
  src_url: http://www.ebi.ac.uk/pdbe/
- 
  aux_for_url: 0
  base_id_url: http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=
  base_id_url_available: 1
  description: The IUPHAR (International Union of Basic and Clinical Pharmacology)/BPS (British Pharmacological Society) Guide to PHARMACOLOGY database contains structures of small molecule ligands, peptides and antibodies, with their affinities at protein targets.
  name: gtopdb
  name_label: Guide to Pharmacology
  name_long: Guide to Pharmacology
  src_compound_id: 
    - 2820
  src_id: 4
  src_url: http://www.guidetopharmacology.org
- 
  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: 
    - C07228
  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).
  src_compound_id: 
    - 8772
  src_id: 7
  src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
- 
  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: 
    - 902386
  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: 
    - 094BA0DC32175BDA3191CE1DD71EF1D4
  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: 
    - raloxifene
  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: 
    - US7375112
    - US20040106161
    - EP1996558A1
    - US20090233905
    - EP1809630B1
    - WO2008003766A2
    - US20060148763
    - EP1809240A2
    - EP1307206A2
    - US20100063038
    - EP1257285A2
    - WO2004074244A2
    - WO2008098058A1
    - US20050113453
    - US20080292630
    - EP1888550A2
    - US7446110
    - US20060216761
    - EP1711496A1
    - WO2002090358A1
    - WO2008070741A1
    - EP0818453B1
    - WO2003035615A2
    - US20090076009
    - US20060160996
    - US20060045883
    - EP2154965A1
    - WO2007112046A2
    - US20090035389
    - US20080286808
    - US20080279767
    - WO2010045095A1
    - US20070225632
    - WO2005082368A1
    - WO2004094476A2
    - US20080312239
    - US20060264435
    - US20060019907
    - US7538096
    - WO2005107770A1
    - US20010002404
    - WO2008131000A2
    - EP1399406B1
    - US6683080
    - EP1937812A2
    - US20060247229
    - WO2007071955A1
    - EP0769945A1
    - WO2001025188A1
    - EP2032564A2
    - WO2008149379A2
    - WO2005097770A1
    - WO2004016753A2
    - EP1167975A1
    - WO2007109247A2
    - US20100136614
    - EP1940843A2
    - US7345069
    - US6340774
    - EP1758919A1
    - EP1682665A2
    - EP1556076A2
    - US20060263349
    - US7632839
    - EP1469861A1
    - WO2010046889A1
    - US20050014158
    - US20090182002
    - EP1786466A2
    - EP2056817A1
    - WO2008041037A1
    - WO2002020020A1
    - US20100034887
    - US20050107404
    - WO2004082667A1
    - EP1458720A1
    - WO2009074829A1
    - EP1972631A1
    - EP1931672A1
    - WO2008087512A1
    - WO2008122614A1
    - US7550470
    - US20040063944
    - EP2173438A2
    - EP1968966A1
    - US20040202658
    - US20030087901
    - WO2006075012A2
    - US20090137615
    - US20100249108
    - WO2010138539A2
    - EP1358184A1
    - WO2004091657A2
    - US20100055169
    - WO2009114870A2
    - WO2010121323A1
    - EP1483251B1
    - EP1660474B1
    - WO2006040522A1
    - EP1221966B1
  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)
  src_compound_id: 
    - YX9162EO3I
  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
  src_compound_id: 
    - SCHEMBL6144
  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
  src_compound_id: 
    - PA451221
  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)
  src_compound_id: 
    - HMDB14624
  src_id: 18
  src_url: http://www.hmdb.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 'Thomson Pharma'."
  name: pubchem_tpharma
  name_label: "PubChem: Thomson Pharma "
  name_long: PubChem ('Thomson Pharma' subset)
  src_compound_id: 
    - 14834427
  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: 
    - 5035
  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-4598311006
  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
  src_compound_id: 
    - LSM-3425
  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: 
    - 84449-90-1
  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: 
    - J22.982B
  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: 
    - 19441
  src_id: 31
  src_url: ~