TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T88752 Ras-related C3 botulinum toxin substrate 1 B1X8JH Sanguinarium Chloride Investigative 68635 C20H14ClNO4 367.8 C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6.[Cl-] IC50 = 58000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BA1IT6 Chelerythrine chloride Investigative 72311 C21H18ClNO4 383.8 C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5.[Cl-] IC50 ~ 100000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BE79CJ 7,8-Dimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2,3-diol;chloride Investigative 25164618 C20H18ClNO4 371.8 C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC(=C(C=C42)O)O.[Cl-] IC50 = 54000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BIF4Z2 Dehydrostepholidine chloride Investigative 363208 C19H18ClNO4 359.8 COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC.[Cl-] IC50 = 63000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BK6A8P Tetrahydroxycanadine HCl Investigative 45483118 C17H18ClNO4 335.8 C1CN2CC3=C(CC2C4=CC(=C(C=C41)O)O)C=CC(=C3O)O.Cl IC50 = 68000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BKEC32 6,7-Dimethoxy-1-methyl-3-naphthalen-2-ylisoquinoline;hydrochloride Investigative 45483140 C22H20ClNO2 365.8 CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC4=CC=CC=C4C=C3.Cl IC50 = 58000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BN3KJ4 4-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)benzene-1,2-diol hydrochloride Investigative 135959763 C18H18ClNO4 347.8 CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)O)O.Cl IC50 = 104000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BV3X1S 6-N-[2-[5-(Dimethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine Investigative 90655048 C22H31N7 393.5 CC1=CC(=C2C=C(C=CC2=N1)NC3=NC(=NC(=C3)C)NC(C)CCCN(C)C)N IC50 = 95000 nM Poor binder T88752 Ras-related C3 botulinum toxin substrate 1 BY13JE 2-(4-Fluoro-3-nitrophenylamino)-N-(4-morpholinophenyl)acetamide Investigative 9099810 C18H19FN4O4 374.4 C1COCCN1C2=CC=C(C=C2)NC(=O)CNC3=CC(=C(C=C3)F)[N+](=O)[O-] IC50 = 57200 nM Poor binder