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Alternative online IC50 calculator (www.ic50.org) based on Python, NumPy, SciPy and Matplotlib; ELISA IC50/EC50 Online Tool (link seems broken) IC50 to pIC50 calculator; Online tool for analysis of in vitro resistance to antimalarial drugs; IC50-to-Ki converter of an inhibitor and enzyme that obey classic Michaelis-Menten kinetics
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 ...
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.
High potency (high value of pIC 50) is a desirable attribute in drug candidates, as it reduces the risk of non-specific, off-target pharmacology at a given concentration. When associated with low clearance, high potency also allows for low total dose, which lowers the risk of idiosyncratic drug reaction .
The parameters of the dose response curve reflect measures of potency (such as EC50, IC50, ED50, etc.) and measures of efficacy (such as tissue, cell or population response). A commonly used dose–response curve is the EC 50 curve, the half maximal effective concentration, where the EC 50 point is defined as the inflection point of the curve.
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]
Toxic units (TU) are used in the field of toxicology to quantify the interactions of toxicants in binary mixtures of chemicals. [1] A toxic unit for a given compound is based on the concentration at which there is a 50% effect (ex. EC50) for a certain biological endpoint.