A threshold of 6 log units was used to classify compounds as ‘active’. Abbreviations: MAD – Median Average Deviation, LE – Ligand Efficiency (kcal/mol per non-hydrogen atom), NBEI – Normalized Binding

Figshare2015-12-02 更新20

Activity analysis of MS-0022 chemotype (See structure in figure 1B).

药物化学筛选

生化活性

Biological activity of side group analogues of MS-0022 measured by pathway inhibition in Shh induced Shh-L2 cells and by BODIPY-cyclopamine competition, including cLogP (computed LogP, octanol/water p

Figshare2015-12-02 更新10

Supplementary data for "Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core"

整合素抑制剂发现

药物化学筛选

Supplementary dataset related to the paper: "Discovery of the first potent and selective αvβ5 integrin inhibitor based on an amide-containing core Integrins αvβ5 and αvβ3 are closely related, proangio

DataCite Commons2021-02-18 更新30

In vitro enzyme inhibition of iminosugars.

药物化学筛选

酶抑制实验

In vitro enzyme inhibition of iminosugars.

Figshare2016-09-29 更新10