{"id":2072,"date":"2022-08-08T09:56:53","date_gmt":"2022-08-08T00:56:53","guid":{"rendered":"https:\/\/www.insilico.jp\/blog\/?p=2072"},"modified":"2022-10-04T09:39:24","modified_gmt":"2022-10-04T00:39:24","slug":"cgbvs_model_update","status":"publish","type":"post","link":"https:\/\/www.insilico.jp\/blog\/2022\/08\/08\/cgbvs_model_update\/","title":{"rendered":"CGBVS\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u66f4\u65b0\uff08ChEMBL30\uff09\u3068\u30e9\u30a4\u30f3\u30ca\u30c3\u30d7\u306e\u5897\u52a0"},"content":{"rendered":"\n<p>CGBVS\u306b\u3088\u308b\u5316\u5408\u7269\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u300c<a href=\"https:\/\/www.intage-healthcare.co.jp\/service\/data-science\/insilico\/czeeks\/\" target=\"_blank\" rel=\"noreferrer noopener\">CzeekS<\/a>\u300d\u306e\u30de\u30b7\u30f3\u30e9\u30fc\u30cb\u30f3\u30b0\u30d9\u30fc\u30b9\u4e88\u6e2c\u30e2\u30c7\u30eb\u304c\u66f4\u65b0\u3055\u308c\u307e\u3057\u305f\u3002\u4e3b\u306a\u66f4\u65b0\u5185\u5bb9\u306f\u4ee5\u4e0b\u3068\u306a\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<ul class=\"wp-block-list\"><li>ChEMBL\u30c7\u30fc\u30bf\u306e\u30ea\u30ea\u30fc\u30b930\u3092\u4f7f\u7528\u3057\u307e\u3057\u305f<\/li><li>Kinase\u30e2\u30c7\u30eb\u5bfe\u8c61\u30bf\u30f3\u30d1\u30af\u8cea\u306f495\u500b\u306b\u306a\u308a\u307e\u3057\u305f<\/li><li><span style=\"text-decoration: underline\" class=\"underline\">Esterase\u30e2\u30c7\u30eb\u3092\u65b0\u898f\u8ffd\u52a0\u3057\u3001\u5408\u8a089\u30e2\u30c7\u30eb\u306b\u306a\u308a\u307e\u3057\u305f<\/span><\/li><li><span style=\"text-decoration: underline\" class=\"underline\">\u5168\u30e2\u30c7\u30eb\u3067\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u6570\u306f1595\u500b\u306b\u306a\u308a\u307e\u3057\u305f<\/span><\/li><\/ul>\n\n\n\n<p>\u5c1a\u3001\u30e2\u30c7\u30eb\u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u4f5c\u6210\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<ul class=\"wp-block-list\"><li>\u30c7\u30fc\u30bf\u30bd\u30fc\u30b9\u306fChEMBL\u3068TIMBAL DB\u3092\u5229\u7528\u3057\u3066\u3044\u307e\u3059<\/li><li>\u30e2\u30c7\u30eb\u306fStandard (STD)\u3068High Activity (HA)\u306e2\u7a2e\u304c\u3042\u308a\u307e\u3059<\/li><li>\u6d3b\u6027\u5024\u306ePositive\/Negative\u30ab\u30c3\u30c8\u30aa\u30d5 \u306f\u6b21\u306e\u901a\u308a\u3067\u3059\u2192 STD\uff1a10uM\/30uM\u3001HA\uff1a1uM\/3uM<\/li><\/ul>\n\n\n\n<p>\u30e2\u30c7\u30eb\u306e\u5185\u5bb9\u306b\u3064\u3044\u3066\u306f\u4ee5\u4e0b\u306e\u30c6\u30fc\u30d6\u30eb\u3092\u3054\u78ba\u8a8d\u304f\u3060\u3055\u3044\u3002\u8a08\u7b97\u53ef\u80fd\u30bf\u30f3\u30d1\u30af\u30ea\u30b9\u30c8\u306f\u3053\u3061\u3089\u306e<a href=\"https:\/\/www.insilico.jp\/protlist_new.php?protfam=cyp\" target=\"_blank\" rel=\"noreferrer noopener\">\u30ea\u30f3\u30af<\/a>\u304b\u3089\u3054\u78ba\u8a8d\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<table id=\"tablepress-4\" class=\"tablepress tablepress-id-4 tbody-has-connected-cells\">\n<tbody class=\"row-hover\">\n<tr class=\"row-1\">\n\t<td rowspan=\"2\" class=\"column-1\">\u30e2\u30c7\u30eb<br \/>\n<\/td><td colspan=\"2\" class=\"column-2\">Standard Activity (STD)<\/td><td colspan=\"2\" class=\"column-4\">High Activity (HA)<\/td><td rowspan=\"2\" class=\"column-6\">\u5bfe\u8c61\u30bf\u30f3\u30d1\u30af<br \/>\n\u30d5\u30a1\u30df\u30ea\u30fc<br \/>\n\uff08\u4e00\u90e8\uff09<\/td>\n<\/tr>\n<tr class=\"row-2\">\n\t<td class=\"column-2\">\u30bf\u30f3\u30d1\u30af\u6570<\/td><td class=\"column-3\">\u5b66\u7fd2\u30c7\u30fc\u30bf\u6570<\/td><td class=\"column-4\">\u30bf\u30f3\u30d1\u30af\u6570<\/td><td class=\"column-5\">\u5b66\u7fd2\u30c7\u30fc\u30bf\u6570<\/td>\n<\/tr>\n<tr class=\"row-3\">\n\t<td class=\"column-1\">Cytochrome P450<\/td><td class=\"column-2\">39<\/td><td class=\"column-3\">42,654<\/td><td class=\"column-4\">29<\/td><td class=\"column-5\">14,449<\/td><td class=\"column-6\">Cytochrome P450,<br \/>\nAromatase<\/td>\n<\/tr>\n<tr class=\"row-4\">\n\t<td class=\"column-1\">Esterase<\/td><td class=\"column-2\">171<\/td><td class=\"column-3\">106,874<\/td><td class=\"column-4\">146<\/td><td class=\"column-5\">46,836<\/td><td class=\"column-6\">Phosphodiesterase,<br \/>\nPhosphatase<\/td>\n<\/tr>\n<tr class=\"row-5\">\n\t<td class=\"column-1\">GPCR<\/td><td class=\"column-2\">259<\/td><td class=\"column-3\">189,474<\/td><td class=\"column-4\">255<\/td><td class=\"column-5\">183,432<\/td><td class=\"column-6\">ClassA\u03b1, ClassA\u03b2,<br \/>\nClassA\u03b4, ClassA\u03b3,<br \/>\nClassB, ClassC<\/td>\n<\/tr>\n<tr class=\"row-6\">\n\t<td class=\"column-1\">Ion channel<\/td><td class=\"column-2\">181<\/td><td class=\"column-3\">58,348<\/td><td class=\"column-4\">173<\/td><td class=\"column-5\">40,545<\/td><td class=\"column-6\">Voltage-gated,<br \/>\nLigand-gated<\/td>\n<\/tr>\n<tr class=\"row-7\">\n\t<td class=\"column-1\">Kinase<\/td><td class=\"column-2\">495<\/td><td class=\"column-3\">199,403<\/td><td class=\"column-4\">483<\/td><td class=\"column-5\">208,349<\/td><td class=\"column-6\">AGC, CAMK, CMGC,<br \/>\nSTE, TK, TKL<\/td>\n<\/tr>\n<tr class=\"row-8\">\n\t<td class=\"column-1\">Nuclear receptor<\/td><td class=\"column-2\">42<\/td><td class=\"column-3\">37,529<\/td><td class=\"column-4\">42<\/td><td class=\"column-5\">25,489<\/td><td class=\"column-6\">NR1, NR2, NR3,<br \/>\nNR4, NR5<\/td>\n<\/tr>\n<tr class=\"row-9\">\n\t<td class=\"column-1\">PPI<\/td><td class=\"column-2\">53<\/td><td class=\"column-3\">42,215<\/td><td class=\"column-4\">50<\/td><td class=\"column-5\">22,978<\/td><td class=\"column-6\">Integrins, Bcl2, MDM<\/td>\n<\/tr>\n<tr class=\"row-10\">\n\t<td class=\"column-1\">Protease<\/td><td class=\"column-2\">235<\/td><td class=\"column-3\">108,502<\/td><td class=\"column-4\">218<\/td><td class=\"column-5\">75,526<\/td><td class=\"column-6\">Endopeptidase,<br \/>\nExopeptidase<\/td>\n<\/tr>\n<tr class=\"row-11\">\n\t<td class=\"column-1\">Transporter<\/td><td class=\"column-2\">121<\/td><td class=\"column-3\">44,405<\/td><td class=\"column-4\">101<\/td><td class=\"column-5\">20,754<\/td><td class=\"column-6\">Electrochemical, ATPase,<br \/>\nATP-binding casette<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<!-- #tablepress-4 from cache -->\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>CGBVS\u306b\u3088\u308b\u5316\u5408\u7269\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u300cCzeekS\u300d\u306e\u30de\u30b7\u30f3\u30e9\u30fc\u30cb\u30f3\u30b0\u30d9\u30fc\u30b9\u4e88\u6e2c\u30e2\u30c7\u30eb\u304c\u66f4\u65b0\u3055\u308c\u307e\u3057\u305f\u3002\u4e3b\u306a\u66f4\u65b0\u5185\u5bb9\u306f\u4ee5\u4e0b\u3068\u306a\u308a\u307e\u3059\u3002 ChEMBL\u30c7\u30fc\u30bf\u306e\u30ea\u30ea\u30fc\u30b930\u3092\u4f7f\u7528\u3057\u307e\u3057\u305f Kinase\u30e2\u30c7\u30eb\u5bfe\u8c61\u30bf&#8230;<\/p>\n","protected":false},"author":6,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[4],"tags":[101],"class_list":["post-2072","post","type-post","status-publish","format-standard","hentry","category-cgbvs-czeeks","tag-predictive-models"],"yoast_head":"<!-- This site is optimized with the 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