ACTIVITIES_QUERY

ACTIVITIES_QUERY = "SELECT\n    COMPOUND_STRUCTURES.canonical_smiles,\n    MOLECULE_DICTIONARY.chembl_id,\n    ACTIVITIES.BAO_ENDPOINT,\n    ACTIVITIES.STANDARD_RELATION,\n    ACTIVITIES.STANDARD_VALUE,\n    ACTIVITIES.STANDARD_UNITS,\n    ASSAYS.ASSAY_TYPE,\n    TARGET_DICTIONARY.organism,\n    ASSAYS.TID,\n    TARGET_DICTIONARY.chembl_id as target_chembl_id,\n    TARGET_DICTIONARY.pref_name\nFROM MOLECULE_DICTIONARY\nJOIN COMPOUND_STRUCTURES ON MOLECULE_DICTIONARY.molregno == COMPOUND_STRUCTURES.molregno\nJOIN ACTIVITIES ON MOLECULE_DICTIONARY.molregno == ACTIVITIES.molregno\nJOIN ASSAYS ON ACTIVITIES.ASSAY_ID == ASSAYS.ASSAY_ID\nJOIN TARGET_DICTIONARY ON ASSAYS.TID == TARGET_DICTIONARY.TID\nWHERE\n    assay_type in ('B','F')\n    and ACTIVITIES.standard_value is not null\n    and ACTIVITIES.standard_units = 'nM'\n    and ACTIVITIES.standard_relation is not null\n    and ACTIVITIES.standard_type = 'IC50'\n    and ACTIVITIES.standard_relation = '='\n"

A SQL query for all activities