BindingDB

The first public molecular recognition database, BindingDB supports research, education and practice in drug discovery, pharmacology and related fields.

BindingDB contains 3.2M data for 1.4M Compounds and 11.4K Targets. Of those, 1.6M data for 756K Compounds and 4.8K Targets were curated by BindingDB curators. BindingDB is a FAIRsharing resource.

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8 articles for A Jongejan

The following articles (labelled with PubMed ID or TBD) are for your review

PMID
Data
Article Title
Organization
Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity.EBI
Vu University Amsterdam
Linking agonist binding to histamine H1 receptor activation.EBI
Vrije Universiteit Amsterdam
Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists.EBI
Griffin Discoveries
Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR studies.EBI
Vu University Amsterdam
Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.EBI
Vrije Universiteit
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors.EBI
Vu University Amsterdam
Use of acetylcholine binding protein in the search for novel alpha7 nicotinic receptor ligands. In silico docking, pharmacological screening, and X-ray analysis.EBI
Institute
Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.EBI
Vrije Universiteit Amsterdam