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 D02AUB Bimosiamose Phase 2a 9811353 C46H54O16 862.9 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 > 500000 nM Non binder T60526 L-selectin B0JNX9 (S)-4-Methylcarbamoyl-4-[(R)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-butyric acid methyl ester Investigative 44356515 C46H87N3O10 842.2 CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1C(C(C(C(O1)C)O)O)O)C(=O)N[C@@H](CCC(=O)OC)C(=O)NC IC50 > 500000 nM Non binder T60526 L-selectin B21BAL 2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71717843 C20H22O8 390.4 C1=CC=C(C(=C1)C2=CC=CC(=C2)CC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O IC50 = 4100000 nM Non binder T60526 L-selectin B3GJ4X (2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Investigative 90664124 C31H52N2O23 820.7 C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H](OC([C@H]2NC(=O)C)O)CO)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O IC50 > 1000000 nM Non binder T60526 L-selectin B3HUJ8 2-[3-[5-[6-[3-[2-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-oxohexanoyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71716029 C46H50O18 890.9 C1=CC=C(C(=C1)CC(=O)O)C2=C(C=CC(=C2)C(=O)CCCCC(=O)C3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O IC50 = 3000000 nM Non binder T60526 L-selectin B3MVX7 2-[3-[4-[6-[3-[3-(Carboxymethoxy)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid Investigative 71716031 C46H54O18 894.9 C1=CC(=CC(=C1)OCC(=O)O)C2=C(C=C(C=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC(=CC=C5)OCC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O IC50 = 1400000 nM Non binder T60526 L-selectin B4FV9W {3-[2-(3,4,5-Trihydroxy-phenyl)-acetylamino]-phenyl}-acetic acid Investigative 16114615 C16H15NO6 317.29 C1=CC(=CC(=C1)NC(=O)CC2=CC(=C(C(=C2)O)O)O)CC(=O)O IC50 > 500000 nM Non binder T60526 L-selectin B6IYU1 2-[3-[5-[[3,5-Bis[[3-[3-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71720273 C69H72O24 1285.3 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CC3=CC(=CC(=C3)CC4=CC(=C(C=C4)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)CC7=CC(=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)C9=CC=CC(=C9)CC(=O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)CC(=O)O IC50 = 500000 nM Non binder T60526 L-selectin B6V1BP 2-[3-[5-[6-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71716030 C46H54O16 862.9 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 = 560000 nM Non binder T60526 L-selectin B7JU3D Sodium;[(2S,3S,4S,5S,6S)-2-[(2S,3R,4R,5S,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate Investigative 90664125 C18H31NaO18S 590.5 C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](O[C@H]([C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)OS(=O)(=O)[O-])O)CO)O)O)O)O)O.[Na+] IC50 > 1000000 nM Non binder T60526 L-selectin B7M5RG 5-Acetylamino-2-{3,5-dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-4-yloxy}-4-hydroxy-6-((1R,2R)-1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid Investigative 44387294 C28H47NO21 733.7 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)O)O)O IC50 > 1000000 nM Non binder T60526 L-selectin B7QB4T Sialyl-Lewis X Investigative 643990 C31H52N2O23 820.7 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O IC50 > 1000000 nM Non binder T60526 L-selectin B8DS6G 2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]ethyl]phenyl]phenyl]acetic acid Investigative 71717234 C40H44O14 748.8 C1=CC=C(C(=C1)C2=CC=CC(=C2)CCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O IC50 = 750000 nM Non binder T60526 L-selectin BA0HT4 2-Methyl-3-[2-(3,4,5-trihydroxy-phenyl)-acetylamino]-benzoic acid Investigative 16116164 C16H15NO6 317.29 CC1=C(C=CC=C1NC(=O)CC2=CC(=C(C(=C2)O)O)O)C(=O)O IC50 > 500000 nM Non binder T60526 L-selectin BAUG58 Sodium;3,5-dihydroxy-2-[5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-4-sulfonate Investigative 44304820 C18H31NaO16S 558.5 CC1C(C(C(C(O1)OC2C(COC(C2OC3C(C(C(C(O3)CO)O)S(=O)(=O)[O-])O)CO)O)O)O)O.[Na+] IC50 > 1000000 nM Non binder T60526 L-selectin BBH2R5 Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3S,4R)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] sulfate Investigative 44387297 C17H29NaO16S 544.5 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)OS(=O)(=O)[O-])O)O)CO)O)O)O.[Na+] IC50 > 1000000 nM Non binder T60526 L-selectin BE2IL1 (5-{2-[(3',4',5'-Trihydroxy-biphenyl-2-carbonyl)-amino]-phenyl}-thiophen-2-yl)-acetic acid Investigative 16116559 C25H19NO6S 461.5 C1=CC=C(C(=C1)C2=CC(=C(C(=C2)O)O)O)C(=O)NC3=CC=CC=C3C4=CC=C(S4)CC(=O)O IC50 = 244000 nM Non binder T60526 L-selectin BFBW05 Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3R,4R,5S)-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] sulfate Investigative 44387295 C17H29NaO17S 560.5 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](CO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)OS(=O)(=O)[O-])O)O)CO)O)O)O)O.[Na+] IC50 > 1000000 nM Non binder T60526 L-selectin BG3SY5 2-[3-[5-[[3-[[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71717844 C48H50O16 882.9 C1=CC(=CC(=C1)CC2=CC(=C(C=C2)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=CC(=C4)CC(=O)O)CC5=CC(=C(C=C5)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=CC(=C7)CC(=O)O IC50 = 3000000 nM Non binder T60526 L-selectin BI87NQ 2-[3-[5-[[4-[[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71716033 C48H50O16 882.9 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CC3=CC=C(C=C3)CC4=CC(=C(C=C4)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)O[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)CC(=O)O IC50 = 3000000 nM Non binder T60526 L-selectin BIR73O 2-[3-[5-[9-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]nonyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71719670 C49H60O16 905 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H](C(O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 = 1000000 nM Non binder T60526 L-selectin BJF6V9 2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[6-[4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexyl]phenyl]phenyl]acetic acid Investigative 71719059 C38H48O14 728.8 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)CC(=O)O IC50 = 600000 nM Non binder T60526 L-selectin BK35BA 2-[3-[5-[2-[[3,5-Bis[[2-[3-[2-(carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-oxoethyl]sulfanylmethyl]phenyl]methylsulfanyl]acetyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71720271 C75H78O27S3 1507.6 C1=CC=C(C(=C1)CC(=O)O)C2=C(C=CC(=C2)C(=O)CSCC3=CC(=CC(=C3)CSCC(=O)C4=CC(=C(C=C4)O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC(=C6)CC(=O)O)CSCC(=O)C7=CC(=C(C=C7)O[C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)C9=CC=CC=C9CC(=O)O)O[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O IC50 = 2000000 nM Non binder T60526 L-selectin BKEC43 2-[3-[5-[7-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]heptyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71719671 C47H56O16 876.9 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 = 750000 nM Non binder T60526 L-selectin BL13GC Sodium;[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-[(2R,3S,4R)-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] hydrogen phosphate Investigative 44387291 C17H30NaO16P 544.4 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)OP(=O)(O)[O-])O)O)CO)O)O)O.[Na+] IC50 = 420000 nM Non binder T60526 L-selectin BO1Z2N 2-[3-[5-[5-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]pentyl]-2-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71719672 C45H52O16 848.9 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H](C(O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 = 300000 nM Non binder T60526 L-selectin BP4Z9N 5-(2-{3,5-Dihydroxy-2-hydroxymethyl-6-[2-hydroxymethyl-4-(2,3,4-trihydroxy-5-methoxy-hexyloxy)-tetrahydro-pyran-3-yloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-2,4-dihydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid Investigative 44387293 C28H47NO22 749.7 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](CO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)CO)O)O)O)O IC50 = 220000 nM Non binder T60526 L-selectin BR4W6C Sodium;[(2S,3R,4R,5R,6R)-6-[(2R,3S,4R,5S)-5-acetamido-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2,4,5-trihydroxyoxan-3-yl] sulfate Investigative 44387278 C19H32NNaO17S 601.5 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](CO[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)O)OS(=O)(=O)[O-])O)O)CO)NC(=O)C)O)O)O.[Na+] IC50 > 1000000 nM Non binder T60526 L-selectin BT50PR 2-[3-[2-[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic Acid Investigative 9977686 C20H22O8 390.4 C1=CC=C(C(=C1)C2=CC=CC(=C2)CC(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O IC50 > 500000 nM Non binder T60526 L-selectin BU0QV6 2-[3-[5-[3-[3-[3-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propylsulfanyl]propylsulfanyl]propyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid Investigative 71717230 C49H60O16S2 969.1 C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCSCCCSCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O IC50 = 5000000 nM Non binder