TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T15053 Lactate dehydrogenase A D06ACW Adenosine monophosphate Approved 6083 C10H14N5O7P 347.22 C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B0WQ7Z 6-Phenylnicotinic acid Investigative 120118 C12H9NO2 199.2 C1=CC=C(C=C1)C2=NC=C(C=C2)C(=O)O IC50 > 2000000 nM Non binder T15053 Lactate dehydrogenase A B1NYH2 LDHA Inhibitor, 17 Investigative 4141306 C14H16N2O3S2 324.4 CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B1SLC5 4-[6-[(E)-[(2-Cyanoacetyl)hydrazinylidene]methyl]pyridin-2-yl]benzoic acid Investigative 122186812 C16H12N4O3 308.29 C1=CC(=NC(=C1)C2=CC=C(C=C2)C(=O)O)/C=N/NC(=O)CC#N IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A B43QAN N~3~-(Ethylcarbamoyl)-N-(2-Methyl-1,3-Benzothiazol-6-Yl)-beta-Alaninamide Investigative 56844252 C14H18N4O2S 306.39 CCNC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=C(S2)C IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B4JAN2 Methyl 6-[3-[[(2R,3R,4R,5R)-6-[2-chloro-5-methoxy-4-[[2-(5-methoxycarbonylpyridin-2-yl)sulfanylacetyl]amino]phenoxy]-2,3,4,5-tetrahydroxyhexyl]amino]-5-fluorophenyl]pyridine-3-carboxylate Investigative 71562320 C35H36ClFN4O11S 775.2 COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)OC)Cl)OC[C@H]([C@H]([C@@H]([C@@H](CNC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)OC)F)O)O)O)O IC50 > 10000000 nM Non binder T15053 Lactate dehydrogenase A B4OHQ3 3-[5-[(E)-[[3-(Hydroxymethyl)benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid Investigative 122186808 C20H16N2O5 364.4 C1=CC(=CC(=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)CO IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A B5QC7N N-(2-Methyl-1,3-benzothiazol-6-yl)acetamide Investigative 596481 C10H10N2OS 206.27 CC1=NC2=C(S1)C=C(C=C2)NC(=O)C IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B6G0JN Chembl4213100 Investigative 145966259 C41H44O22 888.8 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@](CO6)(COC(=O)/C=C/C7=CC=C(C=C7)O)O)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B6W2IG 2-(4-Bromanylphenoxy)propanedioic Acid Investigative 56844251 C9H7BrO5 275.05 C1=CC(=CC=C1OC(C(=O)O)C(=O)O)Br IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B78IYM 3-[4-[(E)-[(3,4,5-Trimethoxybenzoyl)hydrazinylidene]methyl]-1H-pyrrol-2-yl]benzoic acid Investigative 137125271 C22H21N3O6 423.4 COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=CNC(=C2)C3=CC(=CC=C3)C(=O)O IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A B7AD3H LDHA Inhibitor, 16 Investigative 7454229 C12H12N2O3S 264.3 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B8WST7 LDHA Inhibitor, 23 Investigative 57340472 C14H18N4O2S2 338.5 CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)N IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A B9FVW3 N-(2-Methyl-1,3-Benzothiazol-6-Yl)-3-Ureido-Propanamide Investigative 47116597 C12H14N4O2S 278.33 CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)N IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BAZP21 1-Phenyl-2H-pyrazolo[3,4-b]pyridin-3-one Investigative 4293432 C12H9N3O 211.22 C1=CC=C(C=C1)N2C3=C(C=CC=N3)C(=O)N2 IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BBH8G6 Chembl4205812 Investigative 145976873 C39H42O21 846.7 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@](CO6)(COC(=O)C7=CC=CC=C7)O)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BBY5I4 5-(2-Chlorophenyl)-1H-tetrazole Investigative 560735 C7H5ClN4 180.59 C1=CC=C(C(=C1)C2=NNN=N2)Cl IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BDCB67 7-Benzyl-2,3-dihydroxy-6-methyl-4-propyl-naphthalene-1-carboxylic Acid Investigative 10498042 C22H22O4 350.4 CCCC1=C(C(=C(C2=C1C=C(C(=C2)CC3=CC=CC=C3)C)C(=O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BE2WL4 3-[6-[(E)-[(3,4,5-Trimethoxybenzoyl)hydrazinylidene]methyl]pyridin-2-yl]benzoic acid Investigative 122187851 C23H21N3O6 435.4 COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C/C2=NC(=CC=C2)C3=CC(=CC=C3)C(=O)O IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A BE7B1K 4-Oxo-4-{[2-(Prop-2-En-1-Ylsulfanyl)-1,3-Benzothiazol-6-Yl]amino}butanoic Acid Investigative 331941 C14H14N2O3S2 322.4 C=CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BE7N4X Chembl4217513 Investigative 145973103 C43H48O24 948.8 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@](CO6)(COC(=O)/C=C/C7=CC(=C(C(=C7)OC)O)OC)O)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BF2B1K 1-Hydroxy-4-(trifluoromethyl)-6-phenyl-1H-indole-2-carboxylic acid Investigative 46893144 C16H10F3NO3 321.25 C1=CC=C(C=C1)C2=CC(=C3C=C(N(C3=C2)O)C(=O)O)C(F)(F)F IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BG2AU8 4-[5-[(E)-[(2-Cyanoacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid Investigative 9556853 C15H11N3O4 297.26 C1=CC(=CC=C1C2=CC=C(O2)/C=N/NC(=O)CC#N)C(=O)O IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A BGR8O4 Quercetin 3-(2G-apiosylrutinoside) Investigative 44259159 C32H38O20 742.6 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@](CO6)(CO)O)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BJ60TQ 2-(4-Methoxybenzyl)Malonic Acid Investigative 14392072 C11H12O5 224.21 COC1=CC=C(C=C1)CC(C(=O)O)C(=O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BK03GH Chembl4218023 Investigative 145970499 C42H46O23 918.8 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O[C@H]6[C@@H]([C@](CO6)(COC(=O)/C=C/C7=CC(=C(C=C7)O)OC)O)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BLEN70 2-((3,4-Dimethoxyphenyl)methyl))propanedioic Acid Investigative 739192 C12H14O6 254.24 COC1=C(C=C(C=C1)CC(C(=O)O)C(=O)O)OC IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BN9Q4U 2-(Pyridin-3-yl)-1H-benzo[d]imidazole Investigative 247635 C12H9N3 195.22 C1=CC=C2C(=C1)NC(=N2)C3=CN=CC=C3 IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BO13UB N-(2-Methoxyethyl)quinazolin-4-amine Investigative 1563320 C11H13N3O 203.24 COCCNC1=NC=NC2=CC=CC=C21 IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BOS5T4 N-(2-Methylamino)-1,3-Benzothiazol-6-Yl)acetamide Investigative 45077712 C10H11N3OS 221.28 CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BOV8Q3 Chembl4212672 Investigative 145966736 C27H38O18 650.6 CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BOWG86 Chembl4214983 Investigative 145971339 C55H86O24 1131.3 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)C)OC(=O)C)O[C@H]9[C@@H]([C@](CO9)(CO)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BP0Y7Q 6-({2-[(5-Chloro-2-Methoxyphenyl)amino]-2-Oxoethyl}sulfanyl)pyridine-3-Carboxylic Acid Investigative 23605664 C15H13ClN2O4S 352.8 COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NC=C(C=C2)C(=O)O IC50 = 770000 nM Non binder T15053 Lactate dehydrogenase A BP1NU5 Nmnh Investigative 9974249 C11H17N2O8P 336.23 C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BPL69X 3-{5-[(Pyridine-3-carbonyl)-hydrazonomethyl]-furan-2-yl}-benzoic acid Investigative 6882908 C18H13N3O4 335.3 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=O)C3=CN=CC=C3 IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A BPUG47 6-(3-Amino-5-fluorophenyl)nicotinic acid Investigative 71562086 C12H9FN2O2 232.21 C1=CC(=NC=C1C(=O)O)C2=CC(=CC(=C2)F)N IC50 = 1300000 nM Non binder T15053 Lactate dehydrogenase A BR1Y4C 4-Hydroxynaphthalene-1-sulfonamide Investigative 747917 C10H9NO3S 223.25 C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)N)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BSI54N 1-Hydroxy-2-naphthoic acid Investigative 6844 C11H8O3 188.18 C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A BUJI05 6-[2-[5-Chloro-4-(2,3-dihydroxypropoxy)-2-methoxyanilino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Investigative 71719216 C18H19ClN2O7S 442.9 COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCC(CO)O IC50 = 342000 nM Non binder T15053 Lactate dehydrogenase A BULZ04 6-[3-(Carboxymethoxy)-5-Fluorophenyl]pyridine-3-Carboxylic Acid Investigative 70680603 C14H10FNO5 291.23 C1=CC(=NC=C1C(=O)O)C2=CC(=CC(=C2)F)OCC(=O)O IC50 = 2200000 nM Non binder T15053 Lactate dehydrogenase A BW2LJ4 Methyl 3-[5-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]furan-2-yl]benzoate Investigative 122186813 C19H15N3O4 349.3 COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=N/NC(=O)C3=CN=CC=C3 IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A BXVR72 3-[5-[(E)-(1H-Indazole-5-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid Investigative 122186809 C20H14N4O4 374.3 C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC(=O)C3=CC4=C(C=C3)NN=C4 IC50 > 200000 nM Non binder T15053 Lactate dehydrogenase A BYB27Z Chembl4207766 Investigative 145976955 C25H36O17 608.5 C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O IC50 > 500000 nM Non binder T15053 Lactate dehydrogenase A D09ALJ Rutin Investigative 5280805 C27H30O16 610.5 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O IC50 > 500000 nM Non binder