Open hyojin0912 opened 4 years ago
Hi there! I am also confused with this question for I want to make a dataset to do Structure-Based Virtual Screening. But I don't know what are actually the actives I need with so many indicator. Have you solved this problem?
Hello
I have a question about IC50, EC50, Ki, Kd threshold for druggability.
I should decide potency for drug using IC50, EC50, Ki, Kd threshold based on ChEMBL bioactivity data. (Classify compound druggable(positive) versus negative.) I know that 1microM is general threshold for IC50. So, IC50 < 1mM is positive inhibitor (IC50 >= 1mM consider as negative inhibitor)
Then, also EC50 < 1mM is druggable ( + drug) Ki, Kd < 1mM is positive inhibitor (+ drug)
I heard that in case of noncompetitive inhibition, Ki=IC50. And ChEMBL bioactivity data would be noncompetitive inhibition assay per protein.
Also, IC50=Kd+[L]. Because ligand is small in case of ChEMBL assay I would consider IC50 = Kd
Is these are right?
Thanks for you advice.