TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T97822 Prostaglandin synthetase D0JY4Y E-3040 Discontinued in Phase 2 443292 C16H17N3OS 299.4 CC1=C(C2=C(C(=C1O)C)SC(=N2)NC)CC3=CN=CC=C3 IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase D0DP8P BW755C Terminated 47795 C10H10F3N3 229.2 C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F IC50 = 97000 nM Poor binder T97822 Prostaglandin synthetase B0QY7G 12-(2,5-Dioxopyrrol-1-yl)dodecanoic acid Investigative 15256755 C16H25NO4 295.37 C1=CC(=O)N(C1=O)CCCCCCCCCCCC(=O)O IC50 = 140000 nM Poor binder T97822 Prostaglandin synthetase B4V2UD 2-[(3-Pyridinylmethyl)amino]-4,5,7-trimethylbenzothiazol-6-ol Investigative 10063338 C16H17N3OS 299.4 CC1=C(C(=C(C2=C1N=C(S2)NCC3=CN=CC=C3)C)O)C IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase B7FWN2 4,7-Dimethyl-2-[(3-pyridinylmethyl)amino]-1,3-benzothiazol-6-ol Investigative 10334136 C15H15N3OS 285.4 CC1=CC(=C(C2=C1N=C(S2)NCC3=CN=CC=C3)C)O IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase B7KL2G 2-(Ethylamino)-4,5-dimethyl-7-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol Investigative 10335738 C17H19N3OS 313.4 CCNC1=NC2=C(S1)C(=C(C(=C2C)C)O)CC3=CN=CC=C3 IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BC40PE 2-Amino-4,5-dimethyl-7-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride Investigative 19044748 C15H17Cl2N3OS 358.3 CC1=C(C(=C(C2=C1N=C(S2)N)CC3=CN=CC=C3)O)C.Cl.Cl IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BD2G6S 7-Ethyl-5-methoxy-2-(methylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol Investigative 10042219 C17H19N3O2S 329.4 CCC1=C(C(=C(C2=C1SC(=N2)NC)CC3=CN=CC=C3)OC)O IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BE67QD 2-Amino-5-methoxy-7-methyl-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride Investigative 19934882 C15H17Cl2N3O2S 374.3 CC1=C(C(=C(C2=C1SC(=N2)N)CC3=CN=CC=C3)OC)O.Cl.Cl IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BHR79L (E)-3-(4-Hydroxy-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one Investigative 5973690 C16H14O4 270.28 COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2O)O IC50 = 63000 nM Poor binder T97822 Prostaglandin synthetase BJ0AD4 2'-Chloro-3,4-dihydroxychalcone Investigative 14977360 C15H11ClO3 274.7 C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)Cl IC50 = 71000 nM Poor binder T97822 Prostaglandin synthetase BLUP17 Isoliquiritigenin Investigative 638278 C15H12O4 256.25 C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O IC50 = 130000 nM Poor binder T97822 Prostaglandin synthetase BN4U7A 4,7-Dimethyl-2-methylamino-5-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride Investigative 90664380 C16H19Cl2N3OS 372.3 CC1=C(C(=C(C2=C1N=C(S2)NC)C)O)CC3=CN=CC=C3.Cl.Cl IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BN96YJ 1,1-Diethyl-3-{2-hydroxy-2-[3-(quinolin-2-ylmethoxy)-phenyl]-ethyl}-3-methyl-urea Investigative 13914227 C24H29N3O3 407.5 CCN(CC)C(=O)N(C)C[C@@H](C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BOP84S 2-[(3-Pyridinylmethyl)amino]-5,7-dimethoxybenzothiazol-6-ol Investigative 11723348 C15H15N3O3S 317.4 COC1=C(C(=C2C(=C1)N=C(S2)NCC3=CN=CC=C3)OC)O IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BU3HK1 (5R)-3-Methyl-5-[3-(quinolin-2-ylmethoxy)phenyl]-1,3-oxazolidin-2-one Investigative 13914253 C20H18N2O3 334.4 CN1C[C@H](OC1=O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3 IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BW9GF3 1-((2-Methylphenyl)methyl)-1h-pyrrole-2,5-dione Investigative 3253091 C12H11NO2 201.22 CC1=CC=CC=C1CN2C(=O)C=CC2=O IC50 = 50000 nM Poor binder T97822 Prostaglandin synthetase BX9E5V 2-Ethylamino-5,7-dimethyl-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride Investigative 19044744 C17H21Cl2N3OS 386.3 CCNC1=NC2=C(S1)C(=C(C(=C2CC3=CN=CC=C3)C)O)C.Cl.Cl IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BYW6A3 5,7-Dimethyl-2-propylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride Investigative 19044753 C18H23Cl2N3OS 400.4 CCCNC1=NC2=C(S1)C(=C(C(=C2CC3=CN=CC=C3)C)O)C.Cl.Cl IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase BZ97SH 2-(Ethylamino)-4,7-dimethyl-5-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol Investigative 10425738 C17H19N3OS 313.4 CCNC1=NC2=C(S1)C(=C(C(=C2C)CC3=CN=CC=C3)O)C IC50 ~ 100000 nM Poor binder T97822 Prostaglandin synthetase D01TOR Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine Investigative 667555 C20H16N4 312.4 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4 IC50 = 50000 nM Poor binder T97822 Prostaglandin synthetase D09AUL Benzyl-(2-imidazol-1-yl-quinazolin-4-yl)-amine Investigative 10266864 C18H15N5 301.3 C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)N4C=CN=C4 IC50 = 51000 nM Poor binder T97822 Prostaglandin synthetase D0EW3L BUTEIN Investigative 5281222 C15H12O5 272.25 C1=CC(=C(C=C1/C=C/C(=O)C2=C(C=C(C=C2)O)O)O)O IC50 = 120000 nM Poor binder T97822 Prostaglandin synthetase D0P1LP PHENIDONE Investigative 7090 C9H10N2O 162.19 C1CN(NC1=O)C2=CC=CC=C2 IC50 = 94000 nM Poor binder