Pharmaceutical Chemistry: Getting Started

NLM's premier bibliographic database that contains references to journal articles in the life sciences with a concentration on biomedicine

Electronic Version of Chemical Abstracts

A multidisciplinary databases cover physical sciences, medicine, and engineering

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.

A freely available dictionary of molecular entities focused on ‘small’ chemical compounds

A public, web-based informatics environment created by the Broad Institute's Chemical Biology Program. Includes freely available data derived from small molecules and small-molecule screens

a database of bioactive drug-like small molecules, it contains 2-D structures, calculated properties (e.g. logP, Molecular Weight, Lipinski Parameters, etc.) and abstracted bioactivities (e.g. binding constants, pharmacology and ADMET data).

Allows one to locate chemical structures in over 70 different public and commercial data sources

A database of over 10 million chemical structures with physical property data. Richest single source of structure-based chemistry information

A unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information.

Find suppliers for over 8 million chemical

A freely available electronic database containing detailed information about small molecule metabolites found in the human body.

International Union of Basic and Clinical Pharmacology

The Merck Index is an encyclopedia of chemicals, drugs, and biologicals that contains more than 10,000 monographs. Each monograph in this authoritative reference source is a concise description of a single substance or a small group of closely related compounds.

This database contains compounds that have been tested against HIV, HIV enzymes or opportunistic pathogens.

A comprehensive, publically-accessible collection of approved and investigational drugs for high-throughput screening that provides a valuable resource for both validating new models of disease and better understanding the molecular basis of disease pathology and intervention.

The Open PHACTS Explorer allows multiple sources of publicly-available pharmacological and physicochemical data to be intuitively queried, and makes data provenance accessible at every step.

It is maintained by members of the Pharmacy and Drug Information Section of the Medical Library Association, members of the Special Libraries Association, and individual members of the American Association of Colleges of Pharmacy.

Contains information about experimentally-determined structures of proteins, nucleic acids, and complex assemblies.

NIH's Small Molecule Repository which is a component of the National Institutes of Health (NIH) Roadmap Molecular Libraries initiative for the creation of an NIH small molecule library and screening centers

Contains bioactivity screens of chemical substances described in PubChem Substance. It provides searchable descriptions of each bioassay, including descriptions of the conditions and readouts specific to that screening procedure

used to calculate physical properties of substances

a unique bioinformatics resource that combines detailed toxin data with comprehensive toxin target information. The database currently houses over 2900 toxins described by over 34 200 synonyms, including pollutants, pesticides, drugs, and food toxins, which are linked to over 1300 corresponding toxin target records.

provides the scientific community with a comprehensive, high-quality and freely accessible resource of protein sequence and functional information.

Helps in performing computational chemistry, ADME/T and chemoinformatics tasks

A free database of commercially-available compounds for virtual screening