How to: Find bioassays in which a given drug is active

Starting with...

A DRUG NAME

  1. Search for the drug name in PubChem Compound home page.
  2. Click on the number next to BioAssays: Active under Bioactivity Experiments on the right panel.

A PUBCHEM SID (SUBSTANCE ID) OR CID (COMPOUND ID) FOR THE DRUG

  1. Search for the SID or CID in PubChem Substance or PubChem Compound.
  2. Continue with step 2 under "a drug name" above.

A MOLECULAR FORMULA

  1. Go to the PubChem Structure Search page.
  2. Click on the "Molecular Formula" heading.
  3. Enter the molecular formula in the search box and click the Search button. (Molecular formulas are case-sensitive. E.g. C6H11O6Cl)
  4. Continue with step 2 under "a drug name" above.

A SMILES STRING FOR THE DRUG

  1. Go to the PubChem Structure Search page.
  2. Click the "Identity/Similarity" heading.
  3. Enter the SMILES string in the input box and click the Search button.
  4. Continue with step 2 under "a drug name" above.
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