{"id":"W2580924009","doi":"10.1016/j.bmc.2017.01.036","title":"Discovery and structure activity relationship of the first potent cryptosporidium FIKK kinase inhibitor","year":2017,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Parasitic Infections and Diagnostics","field":"Immunology and Microbiology","cited_by":15,"is_retracted":false,"has_abstract":false,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"Takeda Pharmaceuticals U.S.A.; Natural Sciences and Engineering Research Council of Canada; Wellcome Trust; Wellcome","keywords":"Parasite hosting; Chemistry; Cryptosporidium; Kinase; In vitro; Structure–activity relationship; IC50; Enzyme inhibitor; Growth inhibition; Protein kinase A; Biochemistry; Cryptosporidium parvum; Biology; Microbiology","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":[0.0002371353,0.0004508965,0.0003275684,0.0003260862,0.0002390029,0.0003754177,0.0003960117,0.0002853982,0.001713709],"category_scores_gemma":[0.0001782489,0.0001724222,0.000244057,0.0001898933,0.0001882296,0.0002763112,0.0002157827,0.0006953941,0.0004378346],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005304491,"about_ca_system_score_gemma":0.0005531175,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001257853,"about_ca_topic_score_gemma":0.002948234,"domain_scores_codex":[0.9999238,0.000007410629,0.000004680899,0.00001273995,0.00001809629,0.00003330427],"domain_scores_gemma":[0.9999557,0.000006743873,0.000007722618,0.000003377081,0.000009051993,0.00001747074],"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":[0.001610536,0.0009192924,0.0009872715,0.0005262065,0.0001122709,0.0008884712,0.0001087611,0.005271254,0.9109085,0.002208813,0.003664121,0.07279447],"study_design_scores_gemma":[0.000738033,0.004905466,0.003860425,0.00004665095,0.0002000531,0.001736345,0.00005915669,0.005205562,0.9482514,0.0005578339,0.03439047,0.00004862895],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9390298,0.02555347,0.01310837,0.001488857,0.0003470845,0.0004427549,0.001984522,0.0002855344,0.01775965],"genre_scores_gemma":[0.9742833,0.0114225,0.004815178,0.0003533262,0.00004481952,0.00004992084,0.001286809,0.00001842474,0.007725638],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001713709,"threshold_uncertainty_score":0.005732954,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009993291990481545,"score_gpt":0.2323201624941822,"score_spread":0.2223268705037006,"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."}}