Sigma-2 receptor ligands QSAR model dataset

Data in Brief

Volumn 13, Issue , 2017, Pages 514-535

  Rescifina, Antonio ^a   Floresta, Giuseppe ^a   Marrazzo, Agostino ^a   Parenti, Carmela ^a   Prezzavento, Orazio ^a   Nastasi, Giovanni ^a   Dichiara, Maria ^a   Amata, Emanuele ^a  

^a UNIVERSITY OF CATANIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

DESCRIPTORS; MOLECULAR GRAPHS; MOLECULAR HYBRID; QSAR MODEL; RECEPTOR LIGANDS; SELECTIVE LIGANDS; SIGMA 2 RECEPTOR;

LIGANDS;

EID: 85021265912     PISSN: None     EISSN: 23523409     Source Type: Journal    
DOI: 10.1016/j.dib.2017.06.022     Document Type: DP

References (7)

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3. ClinicalTrials.gov, Imaging of in vivo Sigma-2 Receptor Expression With 18F-ISO-1 Positron Emission Tomography in Metastatic Breast Cancer, in, 2016.
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5. Nastasi, G., Miceli, C., Pittala, V., Modica, M.N., Prezzavento, O., Romeo, G., Rescifina, A., Marrazzo, A., Amata, E., S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands. J. Cheminform., 9, 2017, 3.
6. A. Rescifina, G. Floresta, A. Marrazzo, C. Parenti, O. Prezzavento, G. Nastasi, M. Dichiara, E. Amata, Development of a Sigma-2 Receptor affinity filter through a Monte Carlo based QSAR analysis, Eur. J. Pharm. Sci. doi.org/10.1016/j.ejps.2017.05.061.
7. Toropova, A.P., Toropov, A.A., Benfenati, E., CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands. Eur. J. Med. Chem. 101 (2015), 452–461.