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784 promiscuity cliffs from ChEMBL

Dimova, Dilyana; Gilberg, Erik; Bajorath, Jürgen


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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Dimova, Dilyana</dc:creator>
  <dc:creator>Gilberg, Erik</dc:creator>
  <dc:creator>Bajorath, Jürgen</dc:creator>
  <dc:date>2016-12-12</dc:date>
  <dc:description>Reported are the 784 promiscuity cliffs formed by compounds from medicinal chemistry sources. Compounds forming cliffs are provided as SMILES. For each compound its promiscuity degree (PD) and the list of ChEMBL target IDs are provided. </dc:description>
  <dc:identifier>https://zenodo.org/record/200393</dc:identifier>
  <dc:identifier>10.5281/zenodo.200393</dc:identifier>
  <dc:identifier>oai:zenodo.org:200393</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/</dc:rights>
  <dc:source>RSC Advances</dc:source>
  <dc:subject>Active compounds</dc:subject>
  <dc:subject>Multi-target activities</dc:subject>
  <dc:subject>Interference compounds</dc:subject>
  <dc:subject>Polypharmacology</dc:subject>
  <dc:subject>Promiscuity cliffs</dc:subject>
  <dc:subject>Structure-activity relationships</dc:subject>
  <dc:subject>PAINS</dc:subject>
  <dc:title>784 promiscuity cliffs from ChEMBL</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
</oai_dc:dc>
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