TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T06320 Galectin 3 B0SWD9 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-Butylphenyl)sulfonylaminothiazole Investigative 44586921 C21H30N2O7S2 486.6 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 B0SWD9 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-Butylphenyl)sulfonylaminothiazole Investigative 44586921 C21H30N2O7S2 486.6 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 B18HAB (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586985 C21H35N3O15S 601.6 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)CS[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 1 B18HAB (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586985 C21H35N3O15S 601.6 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)CS[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O IC50 = 600000 nM Non binder T06320 Galectin 3 B1ZC6T (E)-Methyl 4-(beta-D-galactopyranosyl)-but-2-enoate Investigative 44586862 C11H18O7 262.26 COC(=O)/C=C/C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 B1ZC6T (E)-Methyl 4-(beta-D-galactopyranosyl)-but-2-enoate Investigative 44586862 C11H18O7 262.26 COC(=O)/C=C/C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 B2SB6E 5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenzylaminothiazole Investigative 44586924 C18H23N3O7S 425.5 CC1=C(SC(=N1)NCC2=CC=C(C=C2)[N+](=O)[O-])C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 B2SB6E 5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenzylaminothiazole Investigative 44586924 C18H23N3O7S 425.5 CC1=C(SC(=N1)NCC2=CC=C(C=C2)[N+](=O)[O-])C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 B51WNS (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(6-((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-ylthio)hexa-2,4-diynylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586986 C30H46O20S2 790.8 C(C#CC#CCS[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 1 B5EFI4 (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-((1-((2S,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587043 C27H45N3O20S 763.7 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)CS[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 3 B5SUX1 5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylacetamidothiazole Investigative 44586953 C19H24N2O6S 408.5 CC1=C(SC(=N1)NC(=O)CC2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 B5SUX1 5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylacetamidothiazole Investigative 44586953 C19H24N2O6S 408.5 CC1=C(SC(=N1)NC(=O)CC2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 B6EM3W (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(3-(4-(3-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-ylthio)prop-1-ynyl)phenyl)prop-2-ynylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586990 C24H30O10S2 542.6 C1=CC(=CC=C1C#CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C#CCS[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 3 B6EM3W (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(3-(4-(3-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-ylthio)prop-1-ynyl)phenyl)prop-2-ynylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586990 C24H30O10S2 542.6 C1=CC(=CC=C1C#CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C#CCS[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 B7B5PF 2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586951 C19H24N2O7S 424.5 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)OC)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 B7B5PF 2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586951 C19H24N2O7S 424.5 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)OC)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 B81GSA 5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-phenyl)sulfonylaminothiazole Investigative 44586895 C17H21ClN2O7S2 464.9 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 B81GSA 5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-phenyl)sulfonylaminothiazole Investigative 44586895 C17H21ClN2O7S2 464.9 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 B8NM0R 5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylaminothiazole Investigative 44586923 C18H24N2O5S 380.5 CC1=C(SC(=N1)NCC2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 B8NM0R 5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylaminothiazole Investigative 44586923 C18H24N2O5S 380.5 CC1=C(SC(=N1)NCC2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 B94JQT 2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586925 C18H22N2O6S 394.4 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 B94JQT 2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586925 C18H22N2O6S 394.4 CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 B95BSO (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-(prop-2-ynylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586987 C15H24O10S 396.4 C#CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 1 B95BSO (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-(prop-2-ynylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586987 C15H24O10S 396.4 C#CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O IC50 = 600000 nM Non binder T06320 Galectin 3 B9U2GP Chembl4207339 Investigative 145975452 C18H24N4O9S 472.5 CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C=C(N=N2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)OC)CO)O EC50 = 205000 nM Non binder T06320 Galectin 3 BB2U1Q (2R,3R,4R,5R,6S)-2-(Hydroxymethyl)-6-(2-(4-methoxyphenyl)allyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586864 C16H22O6 310.34 COC1=CC=C(C=C1)C(=C)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 BB2U1Q (2R,3R,4R,5R,6S)-2-(Hydroxymethyl)-6-(2-(4-methoxyphenyl)allyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586864 C16H22O6 310.34 COC1=CC=C(C=C1)C(=C)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BC34IN beta-Lactose Investigative 6134 C12H22O11 342.3 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O IC50 = 800000 nM Non binder T06320 Galectin 1 BC34IN beta-Lactose Investigative 6134 C12H22O11 342.3 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O IC50 = 800000 nM Non binder T06320 Galectin 3 BC3X0O 5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-methylthiazole Investigative 44586984 C13H20N2O7S 348.37 CC1=C(SC(=N1)NC(=O)OC)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BC3X0O 5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-methylthiazole Investigative 44586984 C13H20N2O7S 348.37 CC1=C(SC(=N1)NC(=O)OC)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BC8LD5 5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl)sulfonylaminothiazole Investigative 44586894 C21H24N2O7S2 480.6 CC1=C(SC(=N1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 BC8LD5 5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl)sulfonylaminothiazole Investigative 44586894 C21H24N2O7S2 480.6 CC1=C(SC(=N1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BF6A1O (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587045 C15H25N3O10S 439.4 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 BF6A1O (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587045 C15H25N3O10S 439.4 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BFO8S0 (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(prop-2-ynylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586988 C9H14O5S 234.27 C#CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 BFO8S0 (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(prop-2-ynylthio)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586988 C9H14O5S 234.27 C#CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BH93RY 5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibromophenyl)sulfonylaminothiazole Investigative 44586922 C17H20Br2N2O7S2 588.3 CC1=C(SC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 BH93RY 5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibromophenyl)sulfonylaminothiazole Investigative 44586922 C17H20Br2N2O7S2 588.3 CC1=C(SC(=N1)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BHM1N3 (2S,3R,4R,5R,6R)-2-Cinnamyl-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586861 C15H20O5 280.32 C1=CC=C(C=C1)/C=C/C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BHM1N3 (2S,3R,4R,5R,6R)-2-Cinnamyl-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586861 C15H20O5 280.32 C1=CC=C(C=C1)/C=C/C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BKH79Y 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophenyl)sulfonylaminothiazole Investigative 44586893 C17H21BrN2O7S2 509.4 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 BKH79Y 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophenyl)sulfonylaminothiazole Investigative 44586893 C17H21BrN2O7S2 509.4 CC1=C(SC(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BKJA81 2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586954 C13H20N2O6S 332.37 CC1=C(SC(=N1)NC(=O)C)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 BKJA81 2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586954 C13H20N2O6S 332.37 CC1=C(SC(=N1)NC(=O)C)C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BL49IE (2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)-3-((2S,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)prop-1-enyl)cinnamyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586863 C24H34O10 482.5 C1=CC(=CC(=C1)/C=C/C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)/C=C/C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 BL49IE (2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)-3-((2S,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)prop-1-enyl)cinnamyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586863 C24H34O10 482.5 C1=CC(=CC(=C1)/C=C/C[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)/C=C/C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BPE2Q6 (2R,3R,4R,5R,6S)-2-(Hydroxymethyl)-6-(2-(3-nitrophenyl)allyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586891 C15H19NO7 325.31 C=C(C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C2=CC(=CC=C2)[N+](=O)[O-] IC50 = 5000000 nM Non binder T06320 Galectin 3 BPE2Q6 (2R,3R,4R,5R,6S)-2-(Hydroxymethyl)-6-(2-(3-nitrophenyl)allyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586891 C15H19NO7 325.31 C=C(C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C2=CC(=CC=C2)[N+](=O)[O-] IC50 > 5000000 nM Non binder T06320 Galectin 3 BSU02V [(2S,3R,4R,5R,6R)-2-[3-[4-[3-[(2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylprop-1-ynyl]phenyl]prop-2-ynylsulfanyl]-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate Investigative 44586989 C38H52O21S2 908.9 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)CO)SCC#CC3=CC=C(C=C3)C#CCS[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)CO)O)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 1 BSU02V [(2S,3R,4R,5R,6R)-2-[3-[4-[3-[(2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]sulfanylprop-1-ynyl]phenyl]prop-2-ynylsulfanyl]-3-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate Investigative 44586989 C38H52O21S2 908.9 CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)CO)SCC#CC3=CC=C(C=C3)C#CCS[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O[C@@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)CO)O)O)O)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 1 BTY90X Dimeric Galactoside Investigative 44587042 C18H26O10S2 466.5 C(C#CC#CCS[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 3 BTY90X Dimeric Galactoside Investigative 44587042 C18H26O10S2 466.5 C(C#CC#CCS[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BV5PA7 (2R,3R,4R,5R,6S,E)-2-(Hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586823 C9H16O5 204.22 C/C=C/[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BV5PA7 (2R,3R,4R,5R,6S,E)-2-(Hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44586823 C9H16O5 204.22 C/C=C/[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 BV62PU (2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587044 C21H35N3O15S 601.6 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)CS[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O IC50 = 600000 nM Non binder T06320 Galectin 1 BV62PU (2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol Investigative 44587044 C21H35N3O15S 601.6 C1=C(N=NN1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O)CS[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O IC50 = 300000 nM Non binder T06320 Galectin 3 BVL8J4 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-phenyl)sulfonylaminothiazole Investigative 44586892 C18H24N2O7S2 444.5 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C IC50 = 5000000 nM Non binder T06320 Galectin 1 BVL8J4 5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-phenyl)sulfonylaminothiazole Investigative 44586892 C18H24N2O7S2 444.5 CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=C(S2)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C IC50 > 5000000 nM Non binder T06320 Galectin 3 BW25OU 2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586952 C18H21BrN2O6S 473.3 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 1 BW25OU 2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-methylthiazole Investigative 44586952 C18H21BrN2O6S 473.3 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)Br)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 = 2500000 nM Non binder T06320 Galectin 3 BWPV63 5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-benzamidothiazole Investigative 44586950 C18H21N3O8S 439.4 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BWPV63 5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-benzamidothiazole Investigative 44586950 C18H21N3O8S 439.4 CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 1 BYF6G7 (E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-but-2-enoate Investigative 25022444 C17H22O7 338.4 COC(=O)/C=C(\\C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)/C2=CC=CC=C2 IC50 = 313000 nM Non binder T06320 Galectin 3 BYF6G7 (E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-but-2-enoate Investigative 25022444 C17H22O7 338.4 COC(=O)/C=C(\\C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)/C2=CC=CC=C2 IC50 > 5000000 nM Non binder T06320 Galectin 3 BZMQ01 1-((2S,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)propan-2-one Investigative 23651530 C9H16O6 220.22 CC(=O)C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 = 5000000 nM Non binder T06320 Galectin 1 BZMQ01 1-((2S,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)propan-2-one Investigative 23651530 C9H16O6 220.22 CC(=O)C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O IC50 > 5000000 nM Non binder T06320 Galectin 3 D0D0BJ D-galactose Investigative 439357 C6H12O6 180.16 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O IC50 = 50000000 nM Non binder T06320 Galectin 1 D0D0BJ D-galactose Investigative 439357 C6H12O6 180.16 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O IC50 = 50000000 nM Non binder