Nuclear Receptors DataBase Including Negative Data
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The NR-DBIND (Nuclear Receptors DataBase Including Negative Data) is a non-commercial manually curated benchmarking database dedicated to the Nuclear Receptor(NR) ligands and structures binding data and pharmacological profiles.

The NRs form a superfamily of related transcription factors composed of 48 members, divided into seven subfamilies (NR0 to NR6). The NRs are involved in a wide range of physiological key functions: growth, differentiation, reproduction, metabolism, electrolytic homeostasis, stress response and immune function etc. They are also targetted by some Endocrinien Discruptor Chemicals (EDCs).
The NR-DBIND provides a quasi-exhaustive list of molecules binding data on 27 nuclear receptors that have been reported in the litterature.

The NR-DBIND includes NEGATIVE data.

Additional information is provided about the ligands pharmacological profil, including activity data and percentage activity (compared to a reference ligand) when available. The goal of the NR-DBIND is to provide customisable and homogenisable datasets for rational benchmark of Computer-Aided Drud Design tools, ligand profiling, toxicity prediction etc. The entire NR-DBIND and pre-cleaned subsets of the NR-DBIND are available in the Download section.

▼ ▼ ▼ DOWNLOAD SECTION ▼ ▼ ▼ Raw data :
Pre-cleaned subsets:
Réau M, Lagarde N, Zagury J-F and Montes M (2019), Nuclear Receptors Database Including Negative Data (NR-DBIND): A Database Dedicated to Nuclear Receptors Binding Data Including Negative Data and Pharmacological Profile. J Med Chem. 62(6):2894-2904. doi: 10.1021/acs.jmedchem.8b01105
Réau M, Langenfeld F, Zagury J-F, Lagarde N and Montes M (2018), Decoys Selection in Benchmarking Datasets: Overview and Perspectives. Front. Pharmacol. 9:11. doi: 10.3389/fphar.2018.00011