D-DATABASE

If you use this app, please cite it as follows:

Naveja JJ, Gonzalez-Medina M, Ravindranath AC, Campillos M, Medina-Franco JL. D-DATABASE: An integrated target-molecule database ready for cheminformatic anaylisis ...

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This Shiny app was developped by J. Jesus Naveja and Mariana Gonzalez-Medina

Last update October, 2018

Welcome to D-DATABASE (D-DB)!

Here you can find a database with high confidence compound-target associations.

Target search instructions

1. Under Target(s) name(s) you can write the names of your targets, separated by comma. Example: hdac1, hdac2, dnmt1. Or the Numeric GeneID used by Entrez gene. Example: 20878, 2280, 22974.

2. The options for Target identifier are Name and Entrez gene, if you wrote your target names select the option Name. I you wrote Numeric Gene IDs select Entrez gene.

3. The optional filters can be used in case that you only want human targets, targets considered to be active (pMean_activity higher or equal to 5) or any target with a reported pMean_activity. You can select any of these options, if you do not select any option you will download all the information stored for your target(s) search.

Compound search instructions

1. Select what kind of identifier or ID you would like to use to shearch a compound. If you select Name you can write the compound name.

2. In Search entry you should write the compound ID in the database selected. Examples:

For TTD wirte: D07POC, D01GYT. For T3DB write: 10, 100, 1007.

You can download the entire database here.

Contact

We would appreciate your feedback!

If you have questions or suggestions, please send an email to: Mariana Gonzalez-Medina: mgm_14392@hotmail.com or J. Jesus Naveja: navejaromero@gmail.com.

The non-shiny scripts are available upon request.

Acknowledgements

CONACyT-FUNED Schlolarship: 660673, CONACyT Schoalrship: 622969 and DAAD short research grant: 53378443.

Target(s) name(s)

Please enter one or more identifiers separated by commas. If you select Name as Target identifier an input example can be: hdac1, hdac2, dnmt1. If you select Entrez gene as Target identifier an input example can be the following Gene IDs: 20878, 2280, 22974.

Optional filters

If you only want human targets, targets considered to be active (pMean_activity higher or equal to 5) or any target with a reported pMean_activity you can select any of these options. If you do not select any option you will download all the information stored your your target(s) search.

Download all targets Download PUMA template Download ALP template

Select a database or Name

Select a database to search compounds using their IDs or Name to search by compound name.

Search entry

Please enter one or more Database IDs for the selected database. The IDs must be separated by commas. Wait for a few seconds.

Examples for each Compound identifier would be: Name: aspirin, paracetamol. CHEMBL: CHEMBL3929079,CHEMBL567047. PubChem: 46216494, 53379237. KiDB: 6373, 3150.

Download compounds properties Download compound activities