PubChem Compound

GPTKB entity

Statements (59)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
gptkbp:contains chemical compound records
gptkbp:hasMillionsOf chemical compounds
https://www.w3.org/2000/01/rdf-schema#label PubChem Compound
gptkbp:integratesWith gptkb:literature
gptkb:protein
gptkb:Protein_Data_Bank
gptkb:UniProt
gptkb:PubMed
gptkb:gene
gptkb:NIST_Chemistry_WebBook
gptkb:ChEMBL
gptkb:ChemSpider
gptkb:ToxCast
gptkb:ChEBI
gptkb:DrugBank
gptkb:BindingDB
gptkb:KEGG
Pathway
HMDB
BioAssay
EPA CompTox
PDB-CCD
ZINC database
gptkbp:language English
gptkbp:launched 2004
gptkbp:license public domain
gptkbp:maintainedBy gptkb:National_Center_for_Biotechnology_Information
gptkbp:partOf gptkb:PubChem
gptkbp:provides chemical structure information
chemical property data
biological activity data
links to scientific literature
safety and toxicity information
synonyms and identifiers
gptkbp:recognizedBy CID (Compound ID)
gptkbp:supportedBy gptkb:PUG-REST
gptkb:PUG-SOAP
FTP download
gptkbp:supportsFormat gptkb:SDF
gptkb:InChI
gptkb:JSON
XML
SMILES
gptkbp:updated regularly
gptkbp:usedBy biologists
chemists
toxicologists
bioinformaticians
pharmacologists
gptkbp:usedFor drug discovery
data mining
chemical education
chemical safety assessment
chemical informatics research
gptkbp:website https://pubchem.ncbi.nlm.nih.gov/compound
gptkbp:bfsParent gptkb:NCBI_Entrez_Global_Query_Cross-Database_Search_System
gptkb:PubChem
gptkbp:bfsLayer 7