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Whereas the IC 50 value for a compound may vary between experiments depending on experimental conditions, (e.g. substrate and enzyme concentrations) the K i is an absolute value. K i is the inhibition constant for a drug; the concentration of competing ligand in a competition assay which would occupy 50% of the receptors if no ligand were present.
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.
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.
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.
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 ...
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]
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The use of trapezoidal rule in AUC calculation was known in literature by no later than 1975, in J.G. Wagner's Fundamentals of Clinical Pharmacokinetics. A 1977 article compares the "classical" trapezoidal method to a number of methods that take into account the typical shape of the concentration plot, caused by first-order kinetics. [8]