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The ChEMBL database contains compound bioactivity data against drug targets. Bioactivity is reported in Ki, Kd, IC50, and EC50. [5] Data can be filtered and analyzed to develop compound screening libraries for lead identification during drug discovery.
chemical database small molecules "ChemDB". 5,000,000 ChemExper Chemexper Chemical Directory catalogue chemicals CASno Structure SMILES "ChemExper". Chemxpert Database Chemxpert Chemical Database small molecules database buyers,suppliers "ChemxpertDB". 10,00000 Chemical Book East West University: commercially available compounds
The compounds can be searched by name, chemical structure, similarity to other bitter compounds, association with a particular human bitter taste receptor, and by other properties as well. The database also contains information on mutations in bitter taste receptors that were shown to influence receptor activation by bitter compounds.
The EC 50 of a quantal dose response curve represents the concentration of a compound where 50% of the population exhibit a response, [5] after a specified exposure duration. For clarification, a graded dose response curve shows the graded effect of the drug (y axis) over the dose of the drug (x axis) in one or an average of subjects.
A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.
MethBase: database of DNA methylation data visualized on the UCSC Genome Browser; Minimotif Miner: database of short contiguous functional peptide motifs; Oncogenomic databases: a compilation of databases that serve for cancer research; PubMed: references and abstracts on life sciences and biomedical topics; RIKEN integrated database of mammals
Chemical Structures Database - 3D Structures of organic molecules with physical properties. This database is released under the BSD license. R&D Chemicals - Free compound search by chemical name, CAS Number, structure and substructure
PubChem is a database of chemical molecules and their activities against biological assays.The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine, which is part of the United States National Institutes of Health (NIH).