TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T50429 Peptidyl arginine deiminase type IV D08LTU Minocycline Approved 54675783 C23H27N3O7 457.5 . Ki = 180000 nM Poor binder T50429 Peptidyl arginine deiminase type IV B6N9PC Chlortetracycline Investigative 54675777 C22H23ClN2O8 478.9 C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O IC50 = 100000 nM Poor binder T50429 Peptidyl arginine deiminase type IV B79EZC N-[(2S)-1-(Benzylamino)-1-oxo-4-(triazol-1-yl)butan-2-yl]-1-methylpyrrole-2-carboxamide Investigative 137644769 C19H22N6O2 366.4 CN1C=CC=C1C(=O)N[C@@H](CCN2C=CN=N2)C(=O)NCC3=CC=CC=C3 Ki = 64000 nM Poor binder T50429 Peptidyl arginine deiminase type IV BAX0P8 Schembl22236497 Investigative 137661236 C15H20N4O3 304.34 CC(C)NC(=O)[C@H](CCN1C=CN=C1)NC(=O)C2=CC=CO2 Ki = 88000 nM Poor binder T50429 Peptidyl arginine deiminase type IV BH89TB Chembl4284049 Investigative 145993007 C14H18ClN3 263.76 CN1C=C(C2=CC=CC=C21)CCCN=C(CCl)N IC50 = 190000 nM Poor binder T50429 Peptidyl arginine deiminase type IV BN2WO3 5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione Investigative 6501454 C10H18N4O2 226.28 CC1(C(=O)N(C(=O)N1)CN2CCNCC2)C Ki = 183000 nM Poor binder T50429 Peptidyl arginine deiminase type IV BPH0S1 N-[(2S)-1-(Benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]-1-methylpyrrole-2-carboxamide Investigative 126615756 C20H23N5O2 365.4 CN1C=CC=C1C(=O)N[C@@H](CCN2C=CN=C2)C(=O)NCC3=CC=CC=C3 Ki = 180000 nM Poor binder T50429 Peptidyl arginine deiminase type IV BW43XO F-Amidine (trifluoroacetate salt) Investigative 11589583 C16H20F4N4O4 408.35 C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O IC50 = 51000 nM Poor binder