{"id":"W2317201616","doi":"10.1021/jm401639v","title":"Discovery of a Non-Estrogenic Irreversible Inhibitor of 17β-Hydroxysteroid Dehydrogenase Type 1 from 3-Substituted-16β-(<i>m</i>-carbamoylbenzyl)-estradiol Derivatives","year":2013,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"PROTEO; Université Laval","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Benzamide; Estrone; Estrogen; Hydroxysteroid dehydrogenase; Aromatase inhibitor; Estrogen receptor; 11β-hydroxysteroid dehydrogenase type 1; Aromatase; IC50; Steroid; Dehydrogenase; Enzyme inhibitor; Stereochemistry; Structure–activity relationship; Pharmacology; In vitro; Enzyme; Internal medicine; Biochemistry; Cancer; Hormone; Breast cancer","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001332914,0.0005105637,0.0003783038,0.0002072233,0.0001424717,0.0002281794,0.0004940362,0.0002677262,0.001109141],"category_scores_gemma":[0.0001264693,0.0001991482,0.000387908,0.0001654766,0.0001713551,0.0002119149,0.0002168432,0.0004879995,0.000512664],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002375161,"about_ca_system_score_gemma":0.0002585154,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006643792,"about_ca_topic_score_gemma":0.001116439,"domain_scores_codex":[0.9999261,0.00001060706,0.000005698359,0.00001594719,0.00001852194,0.00002309397],"domain_scores_gemma":[0.9999477,0.000005113711,0.00001230475,0.000004697638,0.00001265658,0.0000175542],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002296825,0.000139353,0.0002218905,0.0001581671,0.00002547769,0.0002062067,0.00003014859,0.0003769836,0.9876618,0.0003586614,0.0002131297,0.01037846],"study_design_scores_gemma":[0.0000951273,0.001258388,0.001636349,0.00001398072,0.00004487431,0.0006142955,0.00001367742,0.0006522954,0.9828514,0.0000530346,0.01274857,0.00001802867],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.945951,0.0247794,0.01878149,0.0003364604,0.0001701461,0.0003046065,0.0009842484,0.000282803,0.008409834],"genre_scores_gemma":[0.9676133,0.01375009,0.01020683,0.0002249626,0.00004718284,0.0001495569,0.001443255,0.0000438258,0.006520976],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001109141,"threshold_uncertainty_score":0.003710508,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004724445165027131,"score_gpt":0.2182050559031607,"score_spread":0.2134806107381336,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}