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Download QR code; Print/export ... IC 50 value increases as agonist concentration increases. ... Online IC50 calculator (www.ic50.tk) ...
Ligand efficiency is a measurement of the binding energy per atom of a ligand to its binding partner, such as a receptor or enzyme. [1]Ligand efficiency is used in drug discovery research programs to assist in narrowing focus to lead compounds with optimal combinations of physicochemical properties and pharmacological properties.
The PDBbind database is a comprehensive collection of experimentally measured binding affinity data (Kd, Ki, and IC50) for the protein-ligand complexes deposited in the Protein Data Bank (PDB). [ 1 ] [ 2 ] It thus provides a link between energetic and structural information of protein-ligand complexes, which is of great value to various studies ...
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Lipophilic efficiency [1] (LiPE), sometimes referred to as ligand-lipophilicity efficiency (LLE) is a parameter used in drug design and drug discovery to evaluate the quality of research compounds, linking potency and lipophilicity in an attempt to estimate druglikeness.
The term "potency" refers to the EC 50 value. The lower the EC 50, the less the concentration of a drug is required to produce 50% of maximum effect and the higher the potency. The EC 10 and EC 90 concentrations to induce 10% and 90% maximal responses are defined similarly.
Likewise, it is used to calculate lipophilic efficiency in evaluating the quality of research compounds, where the efficiency for a compound is defined as its potency, via measured values of pIC 50 or pEC 50, minus its value of log P. [27] Drug permeability in brain capillaries (y axis) as a function of partition coefficient (x axis) [28]
In pharmacology, an effective dose (ED) or effective concentration (EC) is the dose or concentration of a drug that produces a biological response. [1] [2] The term "effective dose" is used when measurements are taken in vivo, while "effective concentration" is used when the measurements are taken in vitro.