Epidermal Growth Factor Receptor Inhibitor Database

If you are using EGFRindb, please cite "Inderjit S Yadav, Harinder Singh, Imran Khan, Ashok Chaudhury, GPS Raghava, Subhash M Agarwal (2014). EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database. Anti-Cancer Agents in Medicinal Chemistry 14.7.928-935."

Introduction

EGFRIndb is a literature curated database of 4581 small molecule inhibitors that have shown activity against either epidermal growth factor receptor isoforms (EGFR, ErbB2, ErbB4) or mutants of EGFR-TK domain (L858R, T790M, double mutant). EGFR is a well established pharmacological target for various cancer types and each record in the database provides detailed information on (a) the structure of molecule, (b) the experimentally determined inhibitory activity of compound (IC50, GI50, Ki, Kd, % inhibition) against EGFR kinase and various cell lines, (c) properties (physical, elemental and topological), (d) drug likeness of compounds through rules of lipinski, veber, ghose, muegge , lead likeness and bioavailability and (e) activity against other kinases.

EGFRIndb is thus a comprehensive database which provides resource for the EGFR inhibitors covering both reversible and irreversible inhibitors. It provides inhibition values against both kinasea as well as various cell lines. It also provides various Search, Advance search, Structure Search and Browse facility to its user to retrieve and analyse the information.

Browse Molecule Id, Inhibitor Class, Kinase and Cellular Inhibition values, Mutant Information, Cell Line, Dual (EGFR/ErbB2) and Covalant inhibition
Search EGFRIndb Molecule Id,Inhibitor Class, IUPAC Name, Pubmed Id, SMILES, InChiKey, Formula
Advance Search Molecular Mass, LogP, Vander Waal Surface Area, Hydrogen Bond Donor, Acceptor, Kinase and Cellular Inhibition Values
Structure Search Draw your structure in JME editor and Search similar molecules in database
  

 

Source: Lancet Oncol. 2012 Jan;13(1): e23-31