BindingDB - sporedata/researchdesigneR GitHub Wiki

General description

BindingDB is an open, centralized, web-based repository primarily focused on cataloging measured binding affinities. As the first public database dedicated to molecular recognition, BindingDB supports a wide array of endeavors in drug discovery, pharmacology, and related scientific and educational fields. It is particularly centered on the interactions between proteins, which are potential drug targets, and small, drug-like molecular ligands.

Additionally, BindingDB contains a select assortment of host-guest binding data that is relevant to chemists engaged in the study of supramolecular systems. Recognized as a FAIRshare recommended resource, BindingDB boasts approximately 2.1 million binding data points, encompassing around 8,000 proteins and 920,000 small molecules. This extensive database is utilized globally for various purposes, including drug discovery, computational chemistry, systems biology, and educational activities.

Related publications

• Para-substituted Phe3 deltorphin analogues: enhanced selectivity of halogenated derivatives for delta opioid receptor sites
• N-terminal alkylated derivatives of [D-Pro10]dynorphin A-(1-11) are highly selective for kappa-opioid receptors
• Synthesis and biological characterization of alpha-(4-fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol and analogues as potential atypical antipsychotic agents
• 2-(N'-alkylidenehydrazino)adenosines: potent and selective coronary vasodilators
• Synthesis and structure-activity relationships of acetylcholinesterase inhibitors: 1-benzyl-4-(2-phthalimidoethyl)piperidine and related derivatives
• 2-(N'-aralkylidenehydrazino)adenosines: potent and selective coronary vasodilators
• Dihydroxynitrobenzaldehydes and hydroxymethoxynitrobenzaldehydes: synthesis and biological activity as catechol-O-methyltransferase inhibitors
• Non-peptide fibrinogen receptor antagonists. 1. Discovery and design of exosite inhibitors
• Radiosynthesis, cerebral distribution, and binding of [125I]-1-(p-iodophenyl)-3-(1-adamantyl)guanidine, a ligand for sigma binding sites
• Synthesis, configuration, and activity of isomeric 2-phenyl-2-(N-piperidinyl)bicyclo[3.1.0]hexanes at phencyclidine and sigma binding sites
• Dihydropyrimidine angiotensin II receptor antagonists
• Structure-activity relationship studies of cocaine: replacement of the C-2 ester group by vinyl argues against H-bonding and provides an esterase-resistant, high-affinity cocaine analogue
• Ketanserin analogues: structure-affinity relationships for 5-HT2 and 5-HT1C serotonin receptor binding
• Inhibition of human leukocyte elastase by N-substituted peptides containing alpha,alpha-difluorostatone residues at P1
• Potent inhibitors of platelet aggregation based upon the Arg-Gly-Asp-Phe sequence of fibrinogen. A proposal on the nature of the binding interaction between the Asp-carboxylate of RGDX mimetics and the platelet GP IIb-IIIa receptor

Data access

More information about NSRR can be found at https://www.bindingdb.org/rwd/bind/index.jsp

To access NSRR data, visit https://www.bindingdb.org/rwd/bind/index.jsp#