ChEMBL’€¦ · DNDi ChEMBL Compound Search Results: 5961 ALogP 2.91 2.92 3.29 3.18 PSA 103.8...

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ChEMBL What does it contain? Protein, Blast & Compound Searching Malaria Data Neglected Tropical Disease (NTD) archive Target & Taxonomy Browsing Drug Approvals

Transcript of ChEMBL’€¦ · DNDi ChEMBL Compound Search Results: 5961 ALogP 2.91 2.92 3.29 3.18 PSA 103.8...

Page 1: ChEMBL’€¦ · DNDi ChEMBL Compound Search Results: 5961 ALogP 2.91 2.92 3.29 3.18 PSA 103.8 107.35 83.57 83.57 HBA HBD *R05 Vic. Bonds Passes Rule Of Three

ChEMBL  What  does  it  contain?

 

 

Protein,  Blast  &  Compound  Searching  

Malaria  Data   Neglected  Tropical  Disease  (NTD)  archive

Target  &  Taxonomy  Browsing

     Drug  Approvals

ChEMBL database to model target of chemical compounds

ChEMBL database to model target of chemical compounds

ChEMBL & RDKitrdkit.org/UGM/2012/Ochoa.RDKit-presentation_Final.pptx.pdfSAR Data Compound y Ki = 4.5 nM >Thrombin MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCS

ChEMBL & RDKitrdkit.org/UGM/2012/Ochoa.RDKit-presentation_Final.pptx.pdfSAR Data Compound y Ki = 4.5 nM >Thrombin MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCS

INTERIM CONDENSED CONSOLIDATED FINANCIAL ......Derivative financial instruments 6.1 70.1 80.7 Deferred tax liabilities 4.6.2 454.5 103.8 Provisions 8.1 433.9 332.7 Employee benefits

INTERIM CONDENSED CONSOLIDATED FINANCIAL ......Derivative financial instruments 6.1 70.1 80.7 Deferred tax liabilities 4.6.2 454.5 103.8 Provisions 8.1 433.9 332.7 Employee benefits

EBI is an Outstation of the European Molecular Biology Laboratory. Overview of ChEMBL Database Gareth Owen, ChEBI group, EMBL-EBI Northwestern University.

EBI is an Outstation of the European Molecular Biology Laboratory. Overview of ChEMBL Database Gareth Owen, ChEBI group, EMBL-EBI Northwestern University.

The Druggable Genome - EMBL-EBI · Anna Gaulton EMBL - European Bioinformatics Institute, ChEMBL Group The Druggable Genome

The Druggable Genome - EMBL-EBI · Anna Gaulton EMBL - European Bioinformatics Institute, ChEMBL Group The Druggable Genome

SureChEMBL – Tech Track Session - ELIXIR | A … – Tech Track Session ELIXIR Innovation and SME forum Mark Davies Technical Lead ChEMBL Group Outline • Background • Patent

SureChEMBL – Tech Track Session - ELIXIR | A … – Tech Track Session ELIXIR Innovation and SME forum Mark Davies Technical Lead ChEMBL Group Outline • Background • Patent

ChEMBL & RDKit · 2012. 10. 15. · Fragment library • From a set of ChEMBL molecules, RECAP* algorithm was applied. • A filter based on the number of heavy atoms and molecular

ChEMBL & RDKit · 2012. 10. 15. · Fragment library • From a set of ChEMBL molecules, RECAP* algorithm was applied. • A filter based on the number of heavy atoms and molecular

RDKit Documentation · 4.7.1.1 ROMol (Mol in Python ... 5.7 Clustering molecules ... •ChEMBL Beaker- standalone web server wrapper for RDKit ...

RDKit Documentation · 4.7.1.1 ROMol (Mol in Python ... 5.7 Clustering molecules ... •ChEMBL Beaker- standalone web server wrapper for RDKit ...

Virtual Solanum potential antimicrobial activity · 2018-11-13 · the ChEMBL database, we selected two sets of chemi-cal structures for construction of two predictive models. The

Virtual Solanum potential antimicrobial activity · 2018-11-13 · the ChEMBL database, we selected two sets of chemi-cal structures for construction of two predictive models. The

waynecounty4hlivestock.weebly.com · Web viewSheep Respiration ………… … 12-20 breathes per min Temperature………….. 103.8 (100.9- 104 F) Pulse rate……………….

waynecounty4hlivestock.weebly.com · Web viewSheep Respiration ………… … 12-20 breathes per min Temperature………….. 103.8 (100.9- 104 F) Pulse rate……………….

Mining the ChEMBL Database: An Efficient Chemoinformatics ... · Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening

Mining the ChEMBL Database: An Efficient Chemoinformatics ... · Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening

ChEMBL – Open Access Database For Drug Discovery

ChEMBL – Open Access Database For Drug Discovery

"Eye On Careers - 103.8" Talk Radio on Career Management

"Eye On Careers - 103.8" Talk Radio on Career Management

ChEMBL’ - Warwick

ChEMBL’ - Warwick

First Page€¦ ·  · 2017-05-22First Page Disclaimer The ... “The Biggest Ponzi Scheme on the Planet ... Slipping $103.8 Trillion to the U.S. Upper Class! ...

First Page€¦ ·  · 2017-05-22First Page Disclaimer The ... “The Biggest Ponzi Scheme on the Planet ... Slipping $103.8 Trillion to the U.S. Upper Class! ...

ChEMBL and Structural Alerts

ChEMBL and Structural Alerts

ChEMBL Database: Meeting Chemical and Biological ... · ChEMBL Database • Freely available (searchable and downloadable) resource for drug discovery • Updated regularly with new

ChEMBL Database: Meeting Chemical and Biological ... · ChEMBL Database • Freely available (searchable and downloadable) resource for drug discovery • Updated regularly with new

SureChEMBL: Open Patent Data - ChemAxon · ChemAxon UGM, Budapest 20/05/2015 SureChEMBL: Open Patent Data George Papadatos, PhD ChEMBL Group, EMBL-EBI georgep@ebi.ac.uk

SureChEMBL: Open Patent Data - ChemAxon · ChemAxon UGM, Budapest 20/05/2015 SureChEMBL: Open Patent Data George Papadatos, PhD ChEMBL Group, EMBL-EBI [email protected]

Animal Alphabet - Embroidery OnlineAnimal Alphabet by Krista Hamrick / #80108 / 26 Designs 80108-13 Moose 3.58 X 3.29 in. 90.93 X 83.57 mm 16,878 St. 80108-14 Newt 2.75 X 2.77 in.

Animal Alphabet - Embroidery OnlineAnimal Alphabet by Krista Hamrick / #80108 / 26 Designs 80108-13 Moose 3.58 X 3.29 in. 90.93 X 83.57 mm 16,878 St. 80108-14 Newt 2.75 X 2.77 in.

ChEMBL resources and KNIME - OpenPHACTS€¦ · ChEMBL KNIME nodes . Example: All bioactivities for hERG All6bioac9vi9es6for6hERG6 Ac9vity6value,6assay6 descripon,compound,6 reference.

ChEMBL resources and KNIME - OpenPHACTS€¦ · ChEMBL KNIME nodes . Example: All bioactivities for hERG All6bioac9vi9es6for6hERG6 Ac9vity6value,6assay6 descripon,compound,6 reference.