---
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base_id_url: https://www.ebi.ac.uk/chembldb/compound/inspect/
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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:
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src_id: 1
src_url: https://www.ebi.ac.uk/chembl/
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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:
- DB12172
src_id: 2
src_url: http://drugbank.ca/
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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:
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src_id: 7
src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do
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base_id_url: http://zinc15.docking.org/substances/
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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
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src_id: 9
src_url: http://zinc15.docking.org
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aux_for_url: 0
base_id_url: https://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
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src_id: 10
src_url: https://www.emolecules.com/
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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.
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name_label: IBM Patent System
name_long: IBM strategic IP insight platform and the National Institutes of Health
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src_id: 11
src_url: http://www-935.ibm.com/services/us/gbs/bao/siip/nih/
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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:
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src_id: 14
src_url: http://fdasis.nlm.nih.gov/srs/srs.jsp
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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:
- SCHEMBL21836
src_id: 15
src_url: https://www.surechembl.org/search/
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base_id_url: http://pubchem.ncbi.nlm.nih.gov/substance/
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:
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src_id: 21
src_url: http://www.thomson-pharma.com/
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base_id_url: http://pubchem.ncbi.nlm.nih.gov/compound/
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:
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src_id: 22
src_url: http://pubchem.ncbi.nlm.nih.gov
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aux_for_url: 0
base_id_url: http://actor.epa.gov/actor/chemical.xhtml?casrn=
base_id_url_available: 1
description: ACToR (Aggregated Computational Toxicology Resource)
name: actor
name_label: ACToR
name_long: ACToR
src_compound_id:
- 6506-37-2
src_id: 26
src_url: https://actor.epa.gov
-
aux_for_url: 0
base_id_url: https://www.molport.com/shop/molecule-link/
base_id_url_available: 1
description: MolPort. A database designed to assist users find commercial sources of compounds. Access requires (free) registration. Only stock compounds included from Nov 2017.
name: molport
name_label: MolPort
name_long: MolPort
src_compound_id:
- MolPort-006-117-794
src_id: 28
src_url: https://www.molport.com/shop/index
-
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base_id_url: https://comptox.epa.gov/dashboard/
base_id_url_available: 1
description: The foundation of chemical safety testing relies on chemistry information such as high-quality chemical structures and physicochemical properties. This information is used by scientists to predict the potential health risks of chemicals.The CompTox Dashboard is part of a suite of dashboards developed by EPA to help evaluate the safety of chemicals. It provides access to a variety of data and information on over 700,000 chemicals currently in use and of interest to environmental researchers. Within the CompTox Dashboard, users can access chemical structures, experimental and predicted physicochemical and toxicity data, and additional links to relevant websites and applications. It maps curated physicochemical property data associated with chemical substances to their corresponding chemical structures
name: comptox
name_label: EPA CompTox Dashboard
name_long: EPA (Environmental Protection Agency) CompTox Dashboard
src_compound_id:
- DTXSID1057795
src_id: 32
src_url: https://comptox.epa.gov/dashboard/
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aux_for_url: 0
base_id_url: http://drugcentral.org/drugcard/
base_id_url_available: 1
description: DrugCentral is an online drug information resource created and maintained by Division of Translational Informatics at University of New Mexico, providing information on active ingredients chemical entities, pharmaceutical products, drug mode of action, indications, pharmacologic action
name: drugcentral
name_label: DrugCentral
name_long: DrugCentral
src_compound_id:
- 1938
src_id: 34
src_url: http://drugcentral.org