TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T92687 Gastric H(+)/K(+) ATPase D02DPA Cimetidine Approved 2756 C10H16N6S 252.34 CC1=C(N=CN1)CSCCNC(=NC)NC#N IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B1AI9G 2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-phenylamine Investigative 14064689 C14H12ClN3OS 305.8 C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=C(C=CC(=C3)Cl)N IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B1X9NL 2,2-Difluoro-6-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-5H-1,3-dioxolo[4,5-f]benzimidazole Investigative 15163510 C16H13F2N3O5S 397.4 COC1=C(C=NC(=C1)CS(=O)C2=NC3=CC4=C(C=C3N2)OC(O4)(F)F)OC IC50 = 63095.73 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B21HNV 6-Methoxy-3,4-dimethyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinoline Investigative 9796998 C21H20N2O 316.4 CC1=CC=CC=C1N2C=C(C3=C(N=C4C(=C32)C=CC=C4OC)C)C IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B25QVF Ethyl 4-amino-3-[[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]benzoate Investigative 14064698 C18H19N3O4S 373.4 CCOC(=O)C1=CC(=C(C=C1)N)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B3QZ4H 2-[(E)-2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-vinyl]-2-methyl-2,3-dihydro-benzothiazole Investigative 44299614 C18H20N2OS 312.4 CC1=CN=C(C(=C1OC)C)/C=C/C2(NC3=CC=CC=C3S2)C IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B3R9IY N-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-guanidine Investigative 7176110 C11H12N4OS 248.31 COC1=CC=CC(=C1)C2=CSC(=N2)N=C(N)N IC50 = 60000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B4X5ZS 2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-6-methyl-phenylamine Investigative 14064701 C15H14ClN3OS 319.8 CC1=CC(=CC(=C1N)CS(=O)C2=NC3=CC=CC=C3N2)Cl IC50 = 60000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B4YD0Z (6-Methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-3-yl)-methanol Investigative 44327587 C20H18N2O2 318.4 CC1=CC=CC=C1N2C=C(C3=CN=C4C(=C32)C=CC=C4OC)CO IC50 = 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B5POB6 2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-trifluoromethyl-phenylamine Investigative 14064692 C15H12F3N3OS 339.3 C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=C(C=CC(=C3)C(F)(F)F)N IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B8HQ4L 1-(2-Methyl-4-fluorophenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-methanol Investigative 44327862 C20H17FN2O2 336.4 CC1=C(C=CC(=C1)F)N2C=C(C3=CN=C4C(=C32)C=CC=C4OC)CO IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase B9OJ8L 2-[4-(3-Chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide Investigative 24854877 C10H10BrClN4S 333.64 C1=CC(=CC(=C1)Cl)C2=CSC(=N2)N=C(N)N.Br IC50 = 53000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BA8SW0 N-[2-(1H-Benzoimidazole-2-sulfinylmethyl)-phenyl]-acetamide Investigative 14064683 C16H15N3O2S 313.4 CC(=O)NC1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2 IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BBS2R7 Timoprazole Investigative 72171 C13H11N3OS 257.31 C1=CC=C2C(=C1)NC(=N2)S(=O)CC3=CC=CC=N3 IC50 = 130000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BCT7G3 5-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole Investigative 44299550 C18H21ClN2OS 348.9 CC1=CN=C(C(=C1OC)C)CCC2(NC3=C(S2)C=CC(=C3)Cl)C IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BI91ZA 1-(2-Methylphenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-ethanol Investigative 44327865 C21H20N2O2 332.4 CC1=CC=CC=C1N2C=C(C3=CN=C4C(=C32)C=CC=C4OC)CCO IC50 = 80000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BJ4R2F 1-(2-Methyl-4-fluorophenyl)-3,4-dimethyl-6-methoxy-1H-pyrrolo[3,2-c]quinoline Investigative 9840636 C21H19FN2O 334.4 CC1=C(C=CC(=C1)F)N2C=C(C3=C(N=C4C(=C32)C=CC=C4OC)C)C IC50 = 72000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BJ9QN4 2-(5,6-Dimethoxy-1H-benzoimidazole-2-sulfinylmethyl)-phenylamine Investigative 13754168 C16H17N3O3S 331.4 COC1=C(C=C2C(=C1)NC(=N2)S(=O)CC3=CC=CC=C3N)OC IC50 = 120000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BK50XS 2-[2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole Investigative 44299282 C18H22N2OS 314.4 CC1=CN=C(C(=C1OC)C)CCC2(NC3=CC=CC=C3S2)C IC50 = 98000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BP65DY 1-(2-Methyl-4-fluorophenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-ethanol Investigative 44327861 C21H19FN2O2 350.4 CC1=C(C=CC(=C1)F)N2C=C(C3=CN=C4C(=C32)C=CC=C4OC)CCO IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BQC89H 4-Amino-3-(1H-benzoimidazole-2-sulfinylmethyl)-benzoic acid ethyl ester Investigative 14064693 C17H17N3O3S 343.4 CCOC(=O)C1=CC(=C(C=C1)N)CS(=O)C2=NC3=CC=CC=C3N2 IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BV67XD 2-[[2-[Amino]-3-(methoxycarbonyl)benzyl]sulfinyl]-1H-benzimidazole Investigative 14064694 C16H15N3O3S 329.4 COC(=O)C1=CC=CC(=C1N)CS(=O)C2=NC3=CC=CC=C3N2 IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BX4ZO0 3-Methyl-1-o-tolyl-6-trifluoromethoxy-1H-pyrrolo[3,2-c]quinoline Investigative 9798780 C20H15F3N2O 356.3 CC1=CC=CC=C1N2C=C(C3=CN=C4C(=C32)C=CC=C4OC(F)(F)F)C IC50 ~ 100000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BXF9U7 2-[2-(2-Hydroxy-ethoxy)-4-methoxy-phenylmethanesulfinyl]-N-pyridin-4-yl-nicotinamide Investigative 10788603 C21H21N3O5S 427.5 COC1=CC(=C(C=C1)CS(=O)C2=C(C=CC=N2)C(=O)NC3=CC=NC=C3)OCCO IC50 = 59000 nM Poor binder T92687 Gastric H(+)/K(+) ATPase BYJ25T [2-Acetyloxy-4-[2-[(N'-benzylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl] acetate;hydrochloride Investigative 49860949 C21H21ClN4O4S 460.9 CC(=O)OC1=C(C=C(C=C1)C2=CSC(=N2)NC(=NCC3=CC=CC=C3)N)OC(=O)C.Cl IC50 ~ 50000 nM Poor binder