Feb022012 database now on Collaborative Drug Discovery site has formed an alliance with Collaborative Drug Discovery (CDD) and our data is now featured on the site.  CDD provides a great way to mine data and look at various properties across multiple databases.  It is also a very good way to learn which compounds are available for specific types of ADME data.  In other words, by searching the database on CDD you can see which compounds have specifc assay data.  View which compounds have Caco-2 data, or solubility data.  Or see which compounds have both.  Interested to know how many (and which) compounds have both human hepatocyte and protein binding data?  Search the database on CDD and get a listing of the compounds that meet that criteria.


Not all of the data is on the CDD site yet (in fact not all of it is listed on our site yet), but we will be adding data over time, so it is worth checking back periodically.


To access our database on the CDD site, follow these simple steps:

1.  Go to

2.  Fill in name and email address

3.  View the public version of the database and search it by your own criteria


Note that the public database will indicate what specific compounds and assays are availble, but you will not be able to view the actual values - only that a specific data point exists.  To view the actual values, you must still optain a license from (that is, afterall, how this site survives...).


Please let us know how you like this searchable feature.


We are having a sale

Buy our Caco-2 Database at an Amazing Price!!!


Black Friday, Cyber Monday, After Christmas, New Years.
There are all sorts of sales this time of the year
Everyone else is having a sale.  Why not us?
Our Caco-2 sale is from now until February 15, 2012
Here is an opportunity to get access to our unique Caco-2 database.
This is not a compilation of literature data.  
This is a purpose built database for model creation and validation, from a single set of experimental protocols.
  • 505 compounds at pH 7.4
  • 457 compounds at pH 6.5
  • A to B and B to A (efflux determination)
  • All data points are n=4

A listing of representative compounds can be found here: - Caco-2 Compound List  

There is also an analysis of the diversity of the compounds that are found in the dataset which can be found here:

What can be done with this data?  Some applications are:
  • Reference / Competitor compounds - compare properties
  • Model Building - Optimize variables or use for validation testing
  • SAR - Examine effect of structure on transport characteristics, absoprtion or efflux
How much for the complete Caco-2 database?

To order:
Email us:
Call us: 754-444-ADME (754-444-2363)


Human Hepatocyte data added

The human hepatocyte dataset was added.  This assay is a very comprehensive assay using 72 data points in order to most accurately determine the Km and Vmax values of the test compounds.  Although human hepatocytes are used by many laboratories, this comprehensive assay format is not one that many labs would routinely run or use in screening applications due to the great time and expense.  However, it generates very accurate data which is ideal for modeling applications.

A list of the compounds used in this assay are here.

A page with more information on the assay and dataset can be found here.

In the future we will be adding another human hepatocyte dataset using a simpler assay format which is more suitable for screening applications.  This data when compared to the more complete assay method will allow the comparison of the use of different assay protocols and the effect on calculated metabolic parameters.


New Data Added and Compound Lists

It has been a while since we have updated this blog, but much has been happening.  We have added datasets for:

In addition, we have added compound lists to most of the dataset descriptions so that you can see exactly which compounds are in each dataset.

Let us know if this is helpful by clicking this link and sending us a message.  Your input is appreciated.


Compound lists and global catalog added

There are no new data types added to the site yet. Instead, we have focused on making the description of the data types that we have better. To help you understand the breadth of data available for a particular assay we have now posted lists of the compounds that are included in that assays database. There is a link in the Facts section of each data type (left side of the page) to the list of compounds. Hopefully this will help take the mystery out of what each database contains and make it easier to decide if it is data that can be valuable to you.

As an example, here is the link to the Compound list for Caco-2

In addition, we have added a link to a global catalog of the database. This will let you see the various data types at a glance and will give an indication of how many compounds have data for different assays. For example, you can see how many compounds have data for both Caco-2 and hepatocyte assays.

A link to that document can be found on the Dataset page or here. This file is a single page .pdf so you will need to zoom in several times to view the text.