TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T60526 L-selectin B2XPW5 (5-{2-[4-(3,4,5-Trihydroxy-phenyl)-butyrylamino]-phenyl}-thiophen-2-yl)-acetic acid Investigative 16116165 C22H21NO6S 427.5 C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)CCCC3=CC(=C(C(=C3)O)O)O IC50 = 105100 nM Poor binder T60526 L-selectin B5Z3SF 4-Methyl-3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoic acid Investigative 16116163 C16H15NO6 317.29 CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2=CC(=C(C(=C2)O)O)O IC50 = 64500 nM Poor binder T60526 L-selectin B6MXL1 (5-{2-[3-(2,3,4-Trihydroxy-phenyl)-propionylamino]-phenyl}-thiophen-2-yl)-acetic acid Investigative 16116166 C21H19NO6S 413.4 C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)CCC3=C(C(=C(C=C3)O)O)O IC50 = 85800 nM Poor binder T60526 L-selectin B8PYW3 {2''-[3-(3,4,5-Trihydroxy-phenyl)-propionylamino]-biphenyl-3-yl}-acetic acid Investigative 16116040 C23H21NO6 407.4 C1=CC=C(C(=C1)C2=CC=CC(=C2)CC(=O)O)NC(=O)CCC3=CC(=C(C(=C3)O)O)O IC50 = 64900 nM Poor binder T60526 L-selectin BF50NW 1-[4-Methoxy-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl]cyclohexane-1-carboxylic acid Investigative 71458017 C20H28O7 380.4 C[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)C2=C(C=CC(=C2)C3(CCCCC3)C(=O)O)OC)O)O)O IC50 = 106000 nM Poor binder T60526 L-selectin BID7Z8 2-Methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-benzoic acid Investigative 16114620 C17H17NO6 331.32 CC1=C(C=CC=C1NC(=O)CCC2=CC(=C(C(=C2)O)O)O)C(=O)O IC50 = 109000 nM Poor binder T60526 L-selectin BK64ZI [3,4,5-Trimethoxy-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-phenyl]-acetic acid Investigative 44340382 C17H24O9 372.4 CC1C(C(C(C(O1)C2=C(C(=C(C=C2CC(=O)O)OC)OC)OC)O)O)O IC50 = 114000 nM Poor binder T60526 L-selectin BP5RB2 2-[3-[2-[4-[(3,4,5-Trihydroxybenzoyl)amino]butanoylamino]phenyl]phenyl]acetic acid Investigative 16116421 C25H24N2O7 464.5 C1=CC=C(C(=C1)C2=CC=CC(=C2)CC(=O)O)NC(=O)CCCNC(=O)C3=CC(=C(C(=C3)O)O)O IC50 = 154400 nM Poor binder T60526 L-selectin BW7E5Q 4-[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-phenyl]-butyric acid Investigative 44340394 C17H24O7 340.4 CC1C(C(C(C(O1)C2=C(C=CC(=C2)CCCC(=O)O)OC)O)O)O IC50 = 170000 nM Poor binder T60526 L-selectin BYKE97 4-[(R)-2-Hexadecanoylamino-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-4-methylcarbamoyl-butyric acid Investigative 44356617 C31H57N3O10 631.8 CCCCCCCCCCCCCCCC(=O)N[C@H](COC1C(C(C(C(O1)C)O)O)O)C(=O)NC(CCC(=O)O)C(=O)NC IC50 = 200000 nM Poor binder