TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T60857 Dihydrodiol dehydrogenase type I D0N9DS PMID27607364-Compound-4 Patented 3016 C16H13ClN2O 284.74 CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 IC50 = 84000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B37ZTK Chembl4166474 Investigative 145952913 C10H6F3N3O2S 289.24 C1=CC(=CC(=C1)NC(=O)C2=NSNC2=O)C(F)(F)F IC50 ~ 50000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B4DI6L (E)-2,3-Bis(4-methylsulfonylphenyl)prop-2-enoic acid Investigative 71718851 C17H16O6S2 380.4 CS(=O)(=O)C1=CC=C(C=C1)/C=C(\\C2=CC=C(C=C2)S(=O)(=O)C)/C(=O)O IC50 = 51000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B6CU7T 5-{[(2,5-Dimethyl-3-furyl)carbonyl]amino}-2-hydroxybenzoic acid Investigative 703764 C14H13NO5 275.26 CC1=CC(=C(O1)C)C(=O)NC2=CC(=C(C=C2)O)C(=O)O Ki = 118000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B72JOP 2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile Investigative 16070041 C23H11ClN4 378.8 C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)C4=C2N=C(N4)C5=C(C=CC=C5C#N)C#N IC50 ~ 50000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B7V1PO (E)-2-(3-Chlorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid Investigative 71654029 C16H13ClO4S 336.8 CS(=O)(=O)C1=CC=C(C=C1)/C=C(\\C2=CC(=CC=C2)Cl)/C(=O)O IC50 = 76700 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B8HZ2B (E)-3-(3,4-Dimethoxyphenyl)-2-naphthalen-1-ylprop-2-enoic acid Investigative 71720050 C21H18O4 334.4 COC1=C(C=C(C=C1)/C=C(\\C2=CC=CC3=CC=CC=C32)/C(=O)O)OC IC50 = 127800 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B8VKS6 4-[Methyl(phenylsulfonyl)amino]benzoic acid Investigative 804306 C14H13NO4S 291.32 CN(C1=CC=C(C=C1)C(=O)O)S(=O)(=O)C2=CC=CC=C2 Ki = 148000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B9OS0A (E)-3-(4-Methylsulfonylphenyl)-2-phenylprop-2-enoic acid Investigative 44451451 C16H14O4S 302.3 CS(=O)(=O)C1=CC=C(C=C1)/C=C(\\C2=CC=CC=C2)/C(=O)O IC50 = 139200 nM Poor binder T60857 Dihydrodiol dehydrogenase type I B9TR1O 7-Benzoyl-4,5-dihydro-1,4-benzoxazepin-3(2H)-one Investigative 668656 C16H13NO3 267.28 C1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)OCC(=O)N1 Ki = 76000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BA8YB6 5-{[(4,5-Dimethyl-2-furyl)carbonyl]amino}-2-hydroxybenzoic acid Investigative 579839 C14H13NO5 275.26 CC1=C(OC(=C1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O)C Ki = 82000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BB53JG 4-Methoxybenzophenone Investigative 69146 C14H12O2 212.24 COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 IC50 = 180000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BCS78J 2-Benzoylbenzoic acid Investigative 6813 C14H10O3 226.23 C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O IC50 = 70000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BD04KM Jasmonic acid Investigative 5281166 C12H18O3 210.27 CC/C=C\\C[C@@H]1[C@H](CCC1=O)CC(=O)O Ki = 162000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BE4U2W Chembl4173733 Investigative 145951864 C11H9F3N4O2 286.21 CN1NC(=O)C(=N1)C(=O)NC2=CC=CC(=C2)C(F)(F)F IC50 ~ 50000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BFIM80 3-{[(4-Methylphenyl)sulfonyl]amino}benzoic acid Investigative 285710 C14H13NO4S 291.32 CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O Ki = 111000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BG8E6V 2-[(3-Methyl-1H-pyrazol-1-yl)methyl]quinoline-4-carboxylic acid Investigative 19585911 C15H13N3O2 267.28 CC1=NN(C=C1)CC2=NC3=CC=CC=C3C(=C2)C(=O)O Ki = 117000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BGQ2K9 3-(Phenacylamino)benzoic acid Investigative 591357 C15H13NO3 255.27 C1=CC=C(C=C1)C(=O)CNC2=CC=CC(=C2)C(=O)O Ki = 72000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BH0S4T 2-(3-Hydroxyphenyl)quinoline-4-carboxylic acid Investigative 673729 C16H11NO3 265.26 C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)O)C(=O)O Ki = 54000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BI57NH N-[(6-Oxo-1H-pyrimidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide Investigative 136236285 C13H11N5O2 269.26 C1=CC2=CC(=NN2C=C1)C(=O)NCC3=CC(=O)NC=N3 Ki = 118000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BJFQ57 Chembl4170286 Investigative 145954680 C14H13F3N4O2 326.27 C1CC1CN2NC(=O)C(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F IC50 ~ 50000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BK82CX 3-[(2,6-Dimethylpyrimidin-4-yl)amino]-4-methylbenzoic acid Investigative 16876789 C14H15N3O2 257.29 CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC(=C2)C)C Ki = 144000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BKCV12 5-Methoxy-2-methyl-3-indoleacetic acid Investigative 76151 C12H13NO3 219.24 CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O IC50 ~ 100000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BKTJ12 N-[4-[Cyano(phenyl)methyl]phenyl]acetamide Investigative 2832029 C16H14N2O 250.29 CC(=O)NC1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 Ki = 87000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BLHG59 (E)-2-(4-Methylsulfonylphenyl)-3-phenylprop-2-enoic acid Investigative 53326266 C16H14O4S 302.3 CS(=O)(=O)C1=CC=C(C=C1)/C(=C\\C2=CC=CC=C2)/C(=O)O IC50 = 69800 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BP32VS (E)-2-(4-Chlorophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid Investigative 71654026 C16H13ClO4S 336.8 CS(=O)(=O)C1=CC=C(C=C1)/C=C(\\C2=CC=C(C=C2)Cl)/C(=O)O IC50 = 86600 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BQ5NU0 (E)-3-(3-Hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid Investigative 5315107 C19H20O7 360.4 COC1=C(C=C(C=C1)/C=C(\\C2=CC(=C(C(=C2)OC)OC)OC)/C(=O)O)O IC50 = 121100 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BVQZ97 3-(1H-Benzimidazol-2-ylamino)benzoic acid Investigative 1081072 C14H11N3O2 253.26 C1=CC=C2C(=C1)NC(=N2)NC3=CC=CC(=C3)C(=O)O Ki = 142000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BX51GZ 3-[(2-Naphthylsulfonyl)amino]propanoic acid Investigative 362740 C13H13NO4S 279.31 C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)O Ki = 148000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I BZ4KV5 Chembl4177097 Investigative 145971744 C10H6F3N3O3 273.17 C1=CC(=CC(=C1)NC(=O)C2=NONC2=O)C(F)(F)F IC50 ~ 50000 nM Poor binder T60857 Dihydrodiol dehydrogenase type I D06SPO 3,5-dichlorosalicylic acid Investigative 9445 C7H4Cl2O3 207.01 C1=C(C=C(C(=C1C(=O)O)O)Cl)Cl Ki = 94000 nM Poor binder