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ChEMBL-NTD Downloads

Deposited Set 1: GSK TCAMS Dataset (20th May 2010)

Description Download
GSK / ChEMBL combined ChEMBL-NTD data set chemblntd_all.sdf.gz / chemblntd_all.txt.gz
GSK ChEMBL-NTD contributed data set chemblntd_gsk.sdf.gz / chemblntd_gsk.txt.gz


Deposited Set 2: Novartis GNF Whole Cell Dataset (20th May 2010)

Description Download
Novartis GNF whole cell dataset Novartis_GNF.xls
Novartis GNF whole cell dataset assay descriptions Novartis_GNF_Assay_Desc.doc


Deposited Set 3: St. Jude Children's Research Hospital Dataset (20th May 2010)

Description Download
Summary of all experimental data for 1536 compounds reported in manuscript Guiguemde_Excel_Supplement_Final.xls
Summary of the primary screen: green fluorescence intensity MAR3D7_01_PS_AGG.sdf.gz
Summary of the primary screen: red fluorescence intensity MAR3D7_02_PS_AGG.sdf.gz
Primary screen property field definitions Field_Definitions_PS.txt


Deposited Set 4: Novartis GNF Liver Stage Dataset (18th November 2011)

Description Download
Novartis GNF liver stage dataset liver_stage_final_screeing_data.xlsx
Novartis GNF liver stage structures (smiles format) liver_stage_final_screeing_data.sdf


Deposited Set 5: DNDi HAT Dataset (18th November 2011)

Description Download
DNDi HAT dataset assay descriptions Assays_table.xlsx
DNDi HAT dataset assay data Compounds_table.txt
DNDi HAT dataset structures Structures_Table.sdf


Deposited Set 6: DNDi Chagas Dataset (18th November 2011)

Description Download
DNDi Chagas dataset assay descriptions Assays_table.txt
DNDi Chagas dataset assay data Compounds_table.txt
DNDi Chagas dataset structures Structures_Table.sdf


Deposited Set 7: The Harvard Medical School Liver Stage Malaria Dataset (9th October 2012)

Description Download
Harvard Medical School Liver Stage Malaria dataset assay data Harvard_ALL.csv
Harvard Medical School Liver Stage Malaria dataset structures Harvard.sdf.gz


Deposited Set 8: DNDi T.b. brucei Dataset (29th November 2012)

Description Download
DNDi T.b. brucei dataset activity values ACTIVITY_DETAIL_TABS.txt
DNDi T.b. brucei dataset assay details ASSAY_TABS.txt
DNDi T.b. brucei dataset compound structures COMPOUND.sdf
DNDi T.b. brucei dataset compound details COMPOUND_TABS.txt
DNDi T.b. brucei dataset reference REFERENCE_TABS.txt


Deposited Set 9: GSK TCAMS TB Dataset (11th January 2013)

Description Download
GSK TCAMS TB dataset compound and activity values TCMDC_TB_NTD.xls


Deposited Set 10: DNDi T. cruzi Dataset (28th October 2013)

Description Download
DNDi T. cruzi dataset activity values ACTIVITY_DETAIL_TABS.txt
DNDi T. cruzi dataset assay details ASSAY_TABS.txt
DNDi T. cruzi dataset compound structures COMPOUND.sdf
DNDi T. cruzi dataset compound details COMPOUND_TABS.txt
DNDi T. cruzi dataset reference REFERENCE_TABS.txt

15th April 2014 - DNDi T. cruzi fenarimol series dataset, from which preclinical candidate EPL-BS0967 was identified

Description Download
DNDi T. cruzi dataset activity values (EPL-BS0967) ACTIVITY_DETAIL_TABS.txt
DNDi T. cruzi dataset assay details (EPL-BS0967) ASSAY_TABS.txt
DNDi T. cruzi dataset compound structures (EPL-BS0967) COMPOUND.sdf
DNDi T. cruzi dataset compound details (EPL-BS0967) COMPOUND_TABS.txt
DNDi T. cruzi dataset reference (EPL-BS0967) REFERENCE_TABS.txt

15th April 2014 - DNDi T. cruzi fenarimol series dataset, from which preclinical candidate EPL-BS1246 was identified

Description Download
DNDi T. cruzi dataset activity values (EPL-BS1246) ACTIVITY_DETAIL_TABS.txt
DNDi T. cruzi dataset assay details (EPL-BS1246) ASSAY_TABS.txt
DNDi T. cruzi dataset compound structures (EPL-BS1246) COMPOUND.sdf
DNDi T. cruzi dataset compound details (EPL-BS1246) COMPOUND_TABS.txt
DNDi T. cruzi dataset reference (EPL-BS1246) REFERENCE_TABS.txt


Deposited Set 11: UCSF DeRisi Lab MMV Dataset (12th November 2013)

Description Download
UCSF DeRisi Lab MMV Dataset MMV-IPP-ScreeningResults.xlsx


Deposited Set 12: MMV Antimalarial Dataset (11th October 2014)

Description Download
MMV Antimalarial Dataset 178_MMV_MalarJ.xls


Deposited Set 13: St. Jude Children's Research Hospital Dataset (4th February 2015)

Description Download
St. Jude Antimalarial Dataset Identification_of_Selective_Inhibitors_of_PfHT.sdf.gz
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