P-gp inhibitor database

The P-gp inhibitor database includes 1302 molecules which have the P-gp inhibition data: 797 molecular are P-gp inhibitors and the others are P-gp non-inhibitors. These data were collected from 104 literatures.

Download the databases:

1. The database with 1302 molecules used in reference [1]
Note: All the above files are password protected when compressed by using Winzip. Sign the license file and apply for the passwd from the ADME group.
License file download: license.pdf or license.doc

[1]. Tingjun Hou, Ke Xia, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach, Journal of Chemical Information and Computer Sciences, 2004, 44, 266-275.[html] [PDF]
[2]. Junmei Wang, George Krudy, Tingjun Hou, George Holland, Xiaojie Xu, Development of reliable aqueous solubility models and their application in drug-like analysis, Journal of Chemical Information and Modeling, 2007, 47, 1395-1404. [html] [PDF]