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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.
2019
2019
PharML.Bind: Pharmacologic Machine Learning for Protein-Ligand Interactions
Is it feasible to create an analysis paradigm that can analyze and then accurately and quickly predict known drugs from… 
2018
2018
Algorithm 1 “ Smoothing ” Secondary Structure Element Sequence Input : Secondary Structures over a Protein Sequence Output : Smoothed Secondary Structure Element Sequence Initialize…
For the labeled data, we chose the half maximal inhibitory concentration (IC50) as the main measure of binding affinity and… 
2015
2015
Integrating drug target information from BindingDB
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
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
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 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… 
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… 
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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