--- - 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: - CHEMBL435966 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: - DB12172 src_id: 2 src_url: http://drugbank.ca/ - 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: - 134929 src_id: 7 src_url: http://www.ebi.ac.uk/chebi/downloadsForward.do - aux_for_url: 0 base_id_url: http://zinc15.docking.org/substances/ 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 src_compound_id: - ZINC000026167988 src_id: 9 src_url: http://zinc15.docking.org - 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 src_compound_id: - 6215002 src_id: 10 src_url: https://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: - 0EDC0F0C3D4661C0928AACBEC2E71F92 src_id: 11 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: - 469ULX0H4G 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: - SCHEMBL21836 src_id: 15 src_url: https://www.surechembl.org/search/ - aux_for_url: 0 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: - 14749219 src_id: 21 src_url: http://www.thomson-pharma.com/ - aux_for_url: 0 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: - 23009 src_id: 22 src_url: http://pubchem.ncbi.nlm.nih.gov - 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 - aux_for_url: 0 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/ - 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