Self-organizing maps for identification of new inhibitors of P-glycoprotein.

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Kaiser D, Terfloth L, Kopp S, Schulz J, de Laet R, Chiba P, Ecker GF, Gasteiger J

Self-organizing maps for identification of new inhibitors of P-glycoprotein.

J Med Chem. 2007 Apr 5;50(7):1698-702. Epub 2007 Mar 13.

PubMed ID

17352460 [ View in PubMed

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Abstract

Self-organizing maps were trained to separate high- and low-active propafenone-type inhibitors of P-glycoprotein. The trained maps were subsequently used to identify highly active compounds in a virtual screen of the SPECS compound library.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Propafenone	P-glycoprotein 1	EC 50 (nM)	329	N/A	N/A	Details