Icon

Active_​compounds_​for_​a_​given_​target_​from_​ChEMBL

Active Compounds for a given target from ChEMBLThe purpose of this workflow is search one or a list of UniprotIDs withinChEMBL database and return information related to compounds withreported activities on those targets.This workflow also reports a list of other targets that has interactionsreports with the compounds found. Second, set as input an Excelsheet with a column named UniprotID containing your targetuniprot id list. First, configure this node withyour Mysql DB hostnamedata base name (ChEMBL DB)and your Mysql credentials. As result a folder named"ChEMBL_target_compounds" willbe created in the same path as theinput excel file. Inside you will findthese four separated excel files. Active compoundsInactive compoundsOther targets with active compundsOther targets with inactive compoundsExcel file withUniprotID list01_Active_compounds.xlsx02_inactive_compounds.xlsx03_New_Target_Active_compounds.xlsx04_New_Target_Inactive_compounds.xlsxNode 256 ChEMBL_DB_Search RowID RowID RowID RowID Excel Reader Excel Writer Excel Writer Excel Writer Excel Writer Results_folder_path MySQL Connector Active Compounds for a given target from ChEMBLThe purpose of this workflow is search one or a list of UniprotIDs withinChEMBL database and return information related to compounds withreported activities on those targets.This workflow also reports a list of other targets that has interactionsreports with the compounds found. Second, set as input an Excelsheet with a column named UniprotID containing your targetuniprot id list. First, configure this node withyour Mysql DB hostnamedata base name (ChEMBL DB)and your Mysql credentials. As result a folder named"ChEMBL_target_compounds" willbe created in the same path as theinput excel file. Inside you will findthese four separated excel files. Active compoundsInactive compoundsOther targets with active compundsOther targets with inactive compoundsExcel file withUniprotID list01_Active_compounds.xlsx02_inactive_compounds.xlsx03_New_Target_Active_compounds.xlsx04_New_Target_Inactive_compounds.xlsxNode 256 ChEMBL_DB_Search RowID RowID RowID RowID Excel Reader Excel Writer Excel Writer Excel Writer Excel Writer Results_folder_path MySQL Connector

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: cpena
Created at: 2020-10-05
On NodePit since: 2021-06-04
Last update: 2024-04-18
Created with KNIME version: v4.3.2

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!