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References from X-ray-Structure-Based Identification of Compounds with Activity against Targets from Different Families and Generation of Templates for Multitarget Ligand Design. Local targets link to admitted publications; unresolved targets remain external evidence.
Multi-Target Therapeutics: When the Whole is greater than the Sum of the Parts
10.1016/j.drudis.2006.11.008 · 2007 · External reference
Multi-Target Drugs: The Trend of Drug Research and Development
10.1371/journal.pone.0040262 · 2012 · External reference
Designing Drugs with Multi-Target Activity: The Next Step in the Treatment of Neurodegenerative Disorders
10.1517/17460441.2013.744746 · 2013 · External reference
Polypharmacology: Challenges and Opportunities in Drug Discovery
10.1021/jm5006463 · 2014 · External reference
Polypharmacology in a Single Drug: Multitarget Drugs
10.2174/0929867311320130004 · 2013 · External reference
Multitarget Drug Discovery and Polypharmacology
10.1002/cmdc.201600161 · 2016 · External reference
Polypharmacology: The Rise of Multitarget Drugs over Combination Therapies
10.4155/fmc.14.25 · 2014 · External reference
Compound Promiscuity - What Can We Learn From Current Data
10.1016/j.drudis.2013.03.002 · 2013 · External reference
Targeting the Cancer Kinome through Polypharmacology
10.1038/nrc2787 · 2010 · External reference
A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
10.1021/jm010533y · 2002 · External reference
Screening in a Spirit Haunted World
10.1016/j.drudis.2006.05.014 · 2006 · External reference
New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays
10.1021/jm901137j · 2010 · External reference
Chemistry: Chemical Con Artists Foil Drug Discovery
10.1038/513481a · 2014 · External reference
Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS
10.1021/acs.jcim.6b00465 · 2017 · External reference
How Frequently Are Pan Assay Interference Compounds Active? Large-Scale Analysis of Screening Data Reveals Diverse Activity Profiles, Low Global Hit Frequency, and Many Consistently Inactive Compounds
10.1021/acs.jmedchem.7b00154 · 2017 · External reference
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology
10.1021/acs.jmedchem.6b01314 · 2016 · External reference
The Ecstasy and Agony of Assay Interference Compounds
10.1021/acs.jcim.7b00105 · 2017 · External reference
The Protein Data Bank
10.1093/nar/28.1.235 · 2000 · External reference
Structural Analysis of Phenothiazine Derivatives as Allosteric Inhibitors of the MALT1 Paracaspase
10.1002/anie.201304290 · 2013 · External reference
Structural Insights into Xenobiotic and Inhibitor Binding to Human Aldehyde Oxidase
10.1038/nchembio.1895 · 2015 · External reference
Order and Disorder: Differential Structural Impacts of Myricetin and Ethyl Caffeate on Human Amylase, an Antidiabetic Target
10.1021/jm301273u · 2012 · External reference
Characterization of a Potent and Selective Small-Molecule Inhibitor of the PIM1 Kinase
10.1158/1535-7163.mct-06-0397 · 2007 · External reference
Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
10.1073/pnas.1137188100 · 2003 · External reference
Thyroxine-Thyroid Hormone Receptor Interactions
10.1074/jbc.m410124200 · 2004 · External reference
ChEMBL: A Large-Scale Bioactivity Database for Drug Discovery
10.1093/nar/gkr777 · 2012 · External reference
ASB Scaffolds: Computational Design and Exploration of a New Type of Molecular Scaffolds for Medicinal Chemistry
10.4155/fsoa-2016-0058 · 2016 · External reference
Computational Design of New Molecular Scaffolds for Medicinal Chemistry, Part II: Generalization of Analog Series-Based Scaffolds
10.4155/fsoa-2017-0102 · 2017 · External reference
Unresolved reference
2012 · External reference
KNIME: The Konstanz Information Miner
2008 · External reference
Unresolved reference
2016 · External reference
Unresolved reference
2017 · External reference
Ligand Depot: A Data Warehouse for Ligands Bound to Macromolecules
10.1093/bioinformatics/bth214 · 2004 · External reference
SMILES, A Chemical Language and Information System. 1. Introduction to Methodology and Encoding Rules
10.1021/ci00057a005 · 1988 · External reference
UniProt: the Universal Protein Knowledgebase
10.1093/nar/gkw1099 · 2017 · External reference
Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles
10.1021/acs.jmedchem.6b00906 · 2016 · External reference
Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets
10.1021/ci900450m · 2010 · External reference
Matched Molecular Pairs as a Medicinal Chemistry Tool
10.1021/jm200452d · 2011 · External reference
RECAP - Retrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Application in Combinatorial Chemistry
10.1021/ci970429i · 1998 · External reference
Matched Molecular Pairs Derived by Retrosynthetic Fragmentation
10.1039/c3md00259d · 2014 · External reference
Unresolved reference
External reference
