{"id":"W1971971142","doi":"10.1016/j.bmcl.2011.04.059","title":"From benzimidazole to indole-5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase. Part 1: Indole C-2 SAR and discovery of diamide derivatives with nanomolar potency in cell-based subgenomic replicons","year":2011,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":21,"is_retracted":false,"has_abstract":false,"ca_institutions":"Boehringer Ingelheim (Canada)","funders":"","keywords":"Chemistry; Indole test; NS5B; Benzimidazole; ADME; Allosteric regulation; Stereochemistry; Carboxamide; Potency; In vivo; Drug discovery; Biochemistry; In vitro; Enzyme; Biology","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0001265564,0.0003470646,0.0001961445,0.0002118385,0.0001519333,0.0002778871,0.0003461391,0.0002087081,0.002457306],"category_scores_gemma":[0.000146722,0.0002068916,0.0002359072,0.0001778228,0.000216263,0.0002430386,0.0002094629,0.0004403883,0.000597355],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004543003,"about_ca_system_score_gemma":0.0002561727,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001618262,"about_ca_topic_score_gemma":0.004714685,"domain_scores_codex":[0.9999621,0.00000534653,0.000002829881,0.000005418626,0.000007955693,0.00001629935],"domain_scores_gemma":[0.9999787,0.00000519508,0.000004436588,0.000002621682,0.000003020445,0.000006131104],"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":[0.001059553,0.0002574338,0.00041117,0.0005028559,0.00002302914,0.0007180168,0.0002222434,0.003757848,0.9075818,0.003130695,0.003285874,0.07904954],"study_design_scores_gemma":[0.0008914252,0.005821136,0.00586456,0.0001078759,0.0001028142,0.001587998,0.00009036917,0.006136111,0.8955193,0.001565663,0.08224151,0.00007136678],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9097062,0.03715133,0.0131925,0.001342506,0.0003700982,0.0004331147,0.001104411,0.0007567073,0.03594318],"genre_scores_gemma":[0.9759961,0.01304156,0.003006819,0.0002629886,0.00004739119,0.00006129724,0.0007747659,0.00002779053,0.006781451],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002457306,"threshold_uncertainty_score":0.008220434,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01833424958890368,"score_gpt":0.2298927335158245,"score_spread":0.2115584839269208,"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."}}