Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks.

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Orr ST, Ripp SL, Ballard TE, Henderson JL, Scott DO, Obach RS, Sun H, Kalgutkar AS

Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks.

J Med Chem. 2012 Jun 14;55(11):4896-933. doi: 10.1021/jm300065h. Epub 2012 Mar 27.

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22409598 [ View in PubMed

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DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Amprenavir	Cytochrome P450 3A4	Ki (nM)	370	N/A	N/A	Details
Clopidogrel	Cytochrome P450 2B6	Ki (nM)	500	N/A	N/A	Details
Clopidogrel	Cytochrome P450 2C19	Ki (nM)	14300	N/A	N/A	Details
Dasatinib	Cytochrome P450 3A4	Ki (nM)	6300	N/A	N/A	Details
Diltiazem	Cytochrome P450 3A4	Ki (nM)	100	N/A	N/A	Details
Erlotinib	Cytochrome P450 3A4	Ki (nM)	6300	N/A	N/A	Details
Gemfibrozil	Cytochrome P450 2C9	IC 50 (nM)	9600	N/A	N/A	Details
Imatinib	Cytochrome P450 3A4	Ki (nM)	14300	N/A	N/A	Details
Lapatinib	Cytochrome P450 3A4	Ki (nM)	1700	N/A	N/A	Details
Lopinavir	Cytochrome P450 3A4	Ki (nM)	1000	N/A	N/A	Details
Mibefradil	Cytochrome P450 3A4	IC 50 (nM)	300	N/A	N/A	Details
Mibefradil	Cytochrome P450 3A4	Ki (nM)	2300	N/A	N/A	Details
Nefazodone	Cytochrome P450 3A4	IC 50 (nM)	15	N/A	N/A	Details
Nefazodone	Cytochrome P450 3A4	IC 50 (nM)	1500	N/A	N/A	Details
Nefazodone	Cytochrome P450 3A4	Ki (nM)	1000	N/A	N/A	Details
Raloxifene	Cytochrome P450 3A4	Ki (nM)	9900	N/A	N/A	Details
Ritonavir	Cytochrome P450 3A4	Ki (nM)	170	N/A	N/A	Details
Saquinavir	Cytochrome P450 3A4	Ki (nM)	650	N/A	N/A	Details
Ticlopidine	Cytochrome P450 2C19	Ki (nM)	3300	N/A	N/A	Details