{"id":"W2286718346","doi":"10.1021/acs.jmedchem.5b01865","title":"Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor","year":2016,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":224,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; National Cancer Institute; National Institutes of Health; Ministero dello Sviluppo Economico; Österreichische Forschungsförderungsgesellschaft; Boehringer Ingelheim Fonds; Ontario Ministry of Economic Development and Innovation; Pershing Square Sohn Cancer Research Alliance; Wellcome Trust; Genome Canada; Boehringer Ingelheim; Pfizer; Eli Lilly and Company; Canadian Institutes of Health Research; Wellcome; Pershing Square Foundation; GlaxoSmithKline; Burroughs Wellcome Fund","keywords":"Chemistry; In vivo; Structure–activity relationship; Stereochemistry; Pharmacology; In vitro; Biochemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001772384,0.0003724273,0.0003885298,0.0002160499,0.0001617506,0.0003607329,0.0005207562,0.0002938476,0.001368152],"category_scores_gemma":[0.0001157229,0.000213026,0.0002196476,0.0001657302,0.0001543654,0.0001922418,0.0001605458,0.0005033216,0.0005181755],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006122161,"about_ca_system_score_gemma":0.0004449626,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000664209,"about_ca_topic_score_gemma":0.001413337,"domain_scores_codex":[0.9999253,0.00001356363,0.000007273599,0.00001593045,0.00001914234,0.00001883229],"domain_scores_gemma":[0.9999641,0.000004402167,0.00000873149,0.000003430026,0.00000682832,0.00001255324],"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":[0.0004489268,0.0002684834,0.0001574601,0.0001459333,0.00002240534,0.0001285254,0.00002178599,0.004001586,0.9845883,0.0009493593,0.0003475577,0.008919588],"study_design_scores_gemma":[0.0006859192,0.002449775,0.0008487777,0.00001673572,0.0000687,0.0004298208,0.00002175306,0.009144403,0.9701412,0.0001836599,0.01598535,0.00002397281],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9495021,0.005068477,0.03260553,0.0005577793,0.0001327665,0.0009571004,0.001635217,0.00038803,0.009153072],"genre_scores_gemma":[0.9741994,0.003425328,0.01680064,0.0001597882,0.00001521013,0.0001704492,0.001466617,0.00002679429,0.003735779],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001368152,"threshold_uncertainty_score":0.004576981,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00775703748647166,"score_gpt":0.2445047407153881,"score_spread":0.2367477032289164,"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."}}