{"id":"W2808865154","doi":"10.1016/j.bmcl.2018.06.040","title":"ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors","year":2018,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Protein Kinase Regulation and GTPase Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":29,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"McMaster University","keywords":"Chemistry; Rho-associated protein kinase; Structure–activity relationship; Kinase; Enzyme inhibitor; Protein kinase A; Pharmacology; Potency; Selectivity; Stereochemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004020464,0.0003215329,0.0002974339,0.00006813177,0.0002187664,0.00002068081,0.0001832506,0.0003114829,0.0001394005],"category_scores_gemma":[0.0006972816,0.0003107923,0.00009397306,0.0002309698,0.0002637239,0.00001102957,0.00008304414,0.0002501172,0.000004124903],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005853447,"about_ca_system_score_gemma":0.000177486,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001999495,"about_ca_topic_score_gemma":0.000003732016,"domain_scores_codex":[0.9982294,0.0001633178,0.0003867266,0.0005460897,0.0003480472,0.0003264505],"domain_scores_gemma":[0.9988292,0.0000922035,0.0002975262,0.0004252604,0.0001323927,0.0002233541],"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":[0.0002245931,0.00004005097,0.00126559,0.0001350111,0.00004815179,0.000007870502,0.00004791067,0.00006264303,0.9966512,0.000001631229,0.0009051721,0.000610201],"study_design_scores_gemma":[0.0007126686,0.00008994887,0.001227618,0.0001749984,0.00007819349,0.00003068554,0.00006074242,0.0003931615,0.9962536,0.00001373769,0.0006507541,0.0003138547],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785872,0.0004709565,0.01928772,0.001198371,0.0001069297,0.0002475463,0.00003225174,0.00003221068,0.00003683647],"genre_scores_gemma":[0.9978269,0.00001103621,0.0008203026,0.0003218649,0.0008949223,0.00001514813,0.00004756478,0.00004158682,0.00002072426],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01923968,"threshold_uncertainty_score":0.9999344,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01650096417065435,"score_gpt":0.2253582498190276,"score_spread":0.2088572856483732,"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."}}