Gini coefficient: A new way to express selectivity of kinase inhibitors against a family of kinases

Journal of Medicinal Chemistry

Volumn 50, Issue 23, 2007, Pages 5773-5779

  Graczyk, Piotr P ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

2 (2 CHLORO 4 IODOANILINO) N CYCLOPROPYLMETHOXY 3,4 DIFLUOROBENZAMIDE; 2 [1 (3 AMIDINOTHIOPROPYL) 1H INDOL 3 YL] 3 (1 METHYL 1H INDOL 3 YL)MALEIMIDE; 2 MORPHOLINO 8 PHENYLCHROMONE; 2,3 DIHYDRO 2 OXO 3 (4,5,6,7 TETRAHYDRO 1H INDOL 2 YLMETHYLENE) 1H INDOLE 5 SULFONIC ACID DIMETHYLAMIDE; 3 BROMO 5 TERT BUTYL 4 HYDROXYBENZYLIDENEMALONONITRILE; 4 (1 AMINOETHYL) N (4 PYRIDYL)CYCLOHEXANECARBOXAMIDE; 4 (3 BROMOANILINO) 6,7 DIMETHOXYQUINAZOLINE; 4 (3 CHLOROANILINO) 6,7 DIMETHOXYQUINAZOLINE; 4 (4 FLUOROPHENYL) 2 (4 HYDROXYPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; 4 (4 FLUOROPHENYL) 2 (4 METHYLSULFINYLPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; 6,7 DIMETHOXY 2 PHENYLQUINOXALINE; AG 18; AG 183; AG 538; ALPHA CYANO 3 ETHOXY 4 HYDROXY 5 (PHENYLTHIOMETHYL)CINNAMAMIDE; ALSTERPAULLONE; CALPHOSTIN C; CURCUMIN; CYCLIN DEPENDENT KINASE 2 INHIBITOR; CYCLIN DEPENDENT KINASE INHIBITOR; EPIGALLOCATECHIN GALLATE; FASUDIL; GENISTEIN; HERBIMYCIN A; INDIRUBIN; K 252C; KT 5720; LAVENDUSTIN A; N [2 (4 BROMOCINNAMYLAMINO)ETHYL] 5 ISOQUINOLINESULFONAMIDE; N [5 (3 DIMETHYLAMINOBENZAMIDO) 2 METHYLPHENYL] 4 HYDROXYBENZAMIDE; OLOMOUCINE; PHOSPHOTRANSFERASE INHIBITOR; ROSCOVITINE; ROTTLERIN; STAUROSPORINE; STRESS ACTIVATED PROTEIN KINASE INHIBITOR; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; DRUG SELECTIVITY; DRUG SYNTHESIS; ENZYME INHIBITION; PROTEIN FAMILY;

ADENOSINE TRIPHOSPHATE; ENZYME INHIBITORS; PHOSPHOTRANSFERASES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 36148943501     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm070562u     Document Type: Article

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31. The details will be reported elsewhere.
32. The distribution of the Gini coefficient values is close to normal as demonstrated by repeated calculations of the coefficient using the data for 10 μM AG1024 at 10 μM ATP. Samples of 50 kinases were selected 350 times out of the "virtual kinome" of 510 kinases (skewness: -0.08; kurtosis: -0.21; mean 0.5582 SE 0.0019; standard deviation 0.0357 SE 0.0013; see Supporting Information). About 59% of the Gini values fell within mean ± 1 SD and 97% within mean ± 2 SD. The relevant percentage values expected for the normal distribution are 68% and 95%, respectively.
33. The bottom response is assumed to be 0% and top response 100%.
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35. This is valid only for S = 1.
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