Re: How to retrieve IC50 of a specific compound from NCBI?

From: L. Michel Espinoza-Fonseca (
Date: Tue Sep 09 2008 - 04:25:15 CDT

Hi Ming,

First of all, this question is not very appropriate for the NAMD list,
so in the future please refer your inquiries to a more suitable
mailing list.

Regarding your question, I think the best is to look at the NCBI
databases directly. As far as I know each compound in the database is
linked to its corresponding reference(s) regarding its synthesis
and/or biological function.

If the IC50 values have already been reported (and you *know* that),
then you should spend some time searching for the corresponding paper
in pubmed.


On Tue, Sep 9, 2008 at 10:54 AM, Ming <> wrote:
> Dear all,
> I am trying to dock some compounds onto a protein and then perform MD simulations
> on these systems. However, I don't know how to obtain IC50s for
> every compounds which I intend to dock. Should I obtain them form the original
> articles or form some databases such as NCBI? Does anyone know a easy and correct
> way to get these data?Thanks in advance!
> P.S. I am trying to find the IC50s for some HIV-1 integrase inhibitors.
> Best regards!
> Ming

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:49:49 CST