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BindingDB

BindingDB is a public, web-accessible database of measured binding affinities, focusing chiefly on the interactions of proteins considered to be… 
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ChEMBLChemical databaseComputational chemistryDocking (molecular)

Broader (1)

Medicinal chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2018
2018
Predicting Small Molecule Potency to Inhibit Estrogen Receptors using Machine Learning and Deep Learning Approaches
Uncovering new therapeutic potentials of existing approved drugs is an accelerated process of drug discovery as compared to… 
2014
2014
Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine Synthase Inhibitors with Antimalarial Activity
Malaria is a parasitic disease which has as etiological agents protozoa of the genus Plasmodium prevalent in tropical countries… 
2013
2013
The AtlasCBS Application
2012
2012
BindingDB Entry 50036252: Probes for narcotic receptor mediated phenomena. 19. Synthesis of (+)-4-[(alpha R)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3- methoxybenzyl]-N,N-diethylbenzamide…
Small molecule binding data for protein Delta-type opioid receptor, Nociceptin/mu opioid receptor, and mu/kappa opioid receptor… 
2012
2012
Chikungunya Protease Domain–High Throughput Virtual Screening
Chikungunya virus (CHICKV) is an arboviruses belonging to family Tagoviridae and is transmitted to human through by mosquito… 
2012
2012
BindingDB Entry 50036258: Novel 1-phenylcycloalkanecarboxylic acid derivatives are potent and selective sigma 1 ligands.
Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, and OPIATE… 
2012
2012
BindingDB Entry 50036254: Synthesis and biological activity of N omega-hemiphthaloyl-alpha,omega- diaminoalkanoic acid analogues of aminopterin and 3',5-dichloroaminopterin.
Small molecule binding data for protein Dihydrofolate reductase and Glycinamide ribonucleotide formyltransferase (GARFTase… 
2012
2012
BindingDB Entry 50036243: New thiol inhibitors of neutral endopeptidase EC 3.4.24.11: synthesis and enzyme active-site recognition.
Small molecule binding data for protein Angiotensin-converting enzyme, Neprilysin, and Thermolysin, Uniprot P00800, P08049, and… 
2011
2011
An Introduction to Protein-Ligand Binding for BindingDB Users
BindingDB collects measured binding affinities of proteins and small molecules that bind via noncovalent interactions, in order… 
2009
2009
BindingDB : Background August , 2009
BindingDB collects measured binding affinities of proteins and small molecules that bind via noncovalent interactions, in order… 
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