TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T72835	E-selectin	B05TSK	N-[(2R,3S,4R,5S,6S)-2-Ethoxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide	Investigative	71717841	C22H39NO15	557.5	CCO[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)C)O)O)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)NC(=O)C	IC50 = 1400000 nM	Non binder
T72835	E-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
T72835	E-selectin	B0VL5U	N-(1-{Benzyl-[1-(methoxycarbonylmethyl-carbamoyl)-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-ethyl]-carbamoyl}-2,3-dihydroxy-propyl)-succinamic acid	Investigative	44315289	C27H39N3O13	613.6	CC1C(C(C(C(O1)CC(C(=O)NCC(=O)OC)N(CC2=CC=CC=C2)C(=O)C(C(CO)O)NC(=O)CCC(=O)O)O)O)O	IC50 = 840000 nM	Non binder
T72835	E-selectin	B0Y8BS	2-{[1-(Methoxycarbonylmethyl-carbamoyl)-ethyl]-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314810	C19H30N2O13	494.4	CC(C(=O)NCC(=O)OC)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 360000 nM	Non binder
T72835	E-selectin	B13PBI	Sodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-5-(cyclohexanecarbonylamino)-6-[(2R,3S,4S,5S,6S)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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-carboxylate	Investigative	73355970	C44H73N2NaO28	1101	CCO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[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[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[C@H]5[C@H]([C@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C6CCCCC6)O.[Na+]	IC50 = 2900000 nM	Non binder
T72835	E-selectin	B13RZQ	4-Carbamoyl-2-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-butyric acid	Investigative	44285932	C13H22N2O9	350.32	C(CC(=O)N)[C@H](C(=O)O)NC(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 > 10000000 nM	Non binder
T72835	E-selectin	B16IDT	N-[(2R,3S,4R,5S,6S)-2-Ethoxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]naphthalene-2-carboxamide	Investigative	71720268	C31H43NO15	669.7	CCO[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)C)O)O)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)NC(=O)C4=CC5=CC=CC=C5C=C4	IC50 = 2000000 nM	Non binder
T72835	E-selectin	B1B7LS	(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-ethoxy-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	90664201	C33H56N2O23	848.8	CCO[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[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[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C	IC50 = 1500000 nM	Non binder
T72835	E-selectin	B1BEW0	2-[[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]pentanedioic acid	Investigative	71719677	C24H27NO11	505.5	C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 32000000 nM	Non binder
T72835	E-selectin	B1F2WV	(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-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	90664163	C46H78N10O28	1219.2	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)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)CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N)NC(=O)C)O)O)O	IC50 > 1000000 nM	Non binder
T72835	E-selectin	B1OR5D	2-[2,6-Dimethyl-4-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71720284	C22H26O9	434.4	CC1=CC(=CC(=C1OCC(=O)O)C)C2=CC=CC=C2O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 8000000 nM	Non binder
T72835	E-selectin	B1ZGR8	(2R)-2-[[2-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]pentanedioic acid	Investigative	44286451	C13H21NO10	351.31	C(CC(=O)O)[C@H](C(=O)O)NC(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 7000000 nM	Non binder
T72835	E-selectin	B1ZJL5	2-{[1-(Methoxycarbonylmethyl-carbamoyl)-ethyl]-[2-(3,4,5-trihydroxy-6-{3-[4-(4-phenoxy-phenoxy)-phenyl]-propoxymethyl}-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314808	C40H48N2O15	796.8	CC(C(=O)NCC(=O)OC)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)COCCCC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=C4)O)O)O	IC50 = 420000 nM	Non binder
T72835	E-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 = 2000000 nM	Non binder
T72835	E-selectin	B27WBJ	Sodium;(2S)-2-[2-(aminomethyl)-3,5-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl]oxyoxan-4-yl]oxy-3-phenylpropanoate	Investigative	53323826	C27H40NNaO12	593.6	CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CN)O)O[C@@H](CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	B2K8HW	2-[3-[5-[4-[4-[3-[1-[4-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4-oxobutyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid	Investigative	71716626	C61H78N2O18	1127.3	C1CN(CCC1CCCC2CCN(CC2)C(=O)CCCC3=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)C(=O)CCCC6=CC(=C(C=C6)O[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)CO)O)O)O)C8=CC=CC(=C8)CC(=O)O	IC50 = 1500000 nM	Non binder
T72835	E-selectin	B2M9QI	(5-{2-[2-(2,3,4-Trihydroxy-phenyl)-acetylamino]-phenyl}-thiophen-2-yl)-acetic acid	Investigative	16116422	C20H17NO6S	399.4	C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)CC3=C(C(=C(C=C3)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-selectin	B2S0VQ	2-[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71718488	C20H22O9	406.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)OCC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 6100000 nM	Non binder
T72835	E-selectin	B2SNB8	Chembl348516	Investigative	90664172	C33H61N3O21	835.8	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)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O)O)CO)OCCCCCCN)N)O)O)O	IC50 = 270000 nM	Non binder
T72835	E-selectin	B2ZS9V	5-[[1-[[(2S,3R)-1-Ethoxy-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]amino]-3-hydroxy-2-(hydroxymethyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid	Investigative	44325956	C21H36N2O13	524.5	CCOC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)C(CO)(CO)NC(=O)CCCC(=O)O	IC50 = 900000 nM	Non binder
T72835	E-selectin	B31ZDF	(S)-2-(2,2-Difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)pentanedioic acid	Investigative	46881482	C13H19F2NO11	403.29	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C([C@]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)(F)F	IC50 = 11000000 nM	Non binder
T72835	E-selectin	B39NBK	{3,5-Dihydroxy-2-hydroxymethyl-6-[(1R,2R)-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-acetic acid anion	Investigative	90664029	C20H34O13	482.5	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)OCC(=O)O)O)O)O)O	IC50 = 500000 nM	Non binder
T72835	E-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 = 600000 nM	Non binder
T72835	E-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 = 1000000 nM	Non binder
T72835	E-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 = 3200000 nM	Non binder
T72835	E-selectin	B3PZ0N	Sodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-5-benzamido-6-[(2R,3S,4S,5S,6S)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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-carboxylate	Investigative	73351434	C44H67N2NaO28	1095	CCO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[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[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[C@H]5[C@H]([C@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C6=CC=CC=C6)O.[Na+]	IC50 = 300000 nM	Non binder
T72835	E-selectin	B3Q1SW	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc	Investigative	44456859	C31H52N2O23	820.7	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)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)CO)O)NC(=O)C)O)O)O	IC50 = 1000000 nM	Non binder
T72835	E-selectin	B3S5LI	2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetonitrile	Investigative	71720288	C20H21NO6	371.4	C1=CC=C(C(=C1)C2=CC=CC(=C2)CC#N)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 7000000 nM	Non binder
T72835	E-selectin	B41UMN	2-[[1-(Carboxymethyl-carbamoyl)-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-ethyl]-(3-carboxy-propionyl)-amino]-pentanedioic acid	Investigative	44315249	C20H30N2O15	538.5	C(CC(=O)O)C(C(=O)O)N(C(CC1C(C(C(C(O1)CO)O)O)O)C(=O)NCC(=O)O)C(=O)CCC(=O)O	IC50 > 4000000 nM	Non binder
T72835	E-selectin	B42NLB	3-(2,2-Difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)benzoic acid	Investigative	46845959	C15H17F2NO8	377.29	C1=CC(=CC(=C1)NC(=O)C([C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(F)F)C(=O)O	IC50 = 2500000 nM	Non binder
T72835	E-selectin	B49PLD	2-[2-(3,4,5-Trihydroxy-6-{[methyl-(3-methyl-cyclohexyl)-amino]-methyl}-tetrahydro-pyran-2-yl)-acetylamino]-pentanedioic acid	Investigative	44285873	C21H36N2O9	460.5	CC1CCCC(C1)N(C)CC2C(C(C(C(O2)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O	IC50 = 8000000 nM	Non binder
T72835	E-selectin	B5OF3I	6-[((R)-(R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)-amino]-hexanoic acid	Investigative	44399069	C13H23NO7	305.32	C1[C@H](C([C@@H](CC1(C(=O)NCCCCCC(=O)O)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-selectin	B5QD8A	(2R)-2-[(2S,3R,4S,5S,6R)-3-Benzoyloxy-2-[(2R,3R)-1,4-dimethoxy-1,4-dioxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid	Investigative	118714544	C34H42O18	738.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C(=O)OC)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H](CC3=CC=CC=C3)C(=O)O)OC(=O)C4=CC=CC=C4)C(=O)OC)O)O)O	IC50 = 2080000 nM	Non binder
T72835	E-selectin	B5Y3OI	5-[(2S,4S)-2-[[(2S,3R)-1-Ethoxy-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325812	C22H36N2O12	520.5	CCOC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCCC(=O)O)O	IC50 = 1000000 nM	Non binder
T72835	E-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 > 500000 nM	Non binder
T72835	E-selectin	B67QDP	2-[(2S,3S,4S,5S,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxyphenoxy]oxan-4-yl]oxyacetic acid	Investigative	71717205	C19H26O14	478.4	C1=CC=C(C(=C1)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)O)O)O)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)OCC(=O)O)O	IC50 > 10000000 nM	Non binder
T72835	E-selectin	B6AD4X	2-{2-[6-(4-Benzyl-4-hydroxy-piperidin-1-ylmethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yl]-acetylamino}-pentanedioic acid	Investigative	44286072	C25H36N2O10	524.6	C1CN(CCC1(CC2=CC=CC=C2)O)CC3C(C(C(C(O3)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O	IC50 = 1600000 nM	Non binder
T72835	E-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 > 500000 nM	Non binder
T72835	E-selectin	B6N1QL	2-(2-{6-[(1-Carbamoyl-2-phenyl-ethylamino)-methyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-yl}-acetylamino)-pentanedioic acid	Investigative	44286163	C22H31N3O10	497.5	C1=CC=C(C=C1)C[C@@H](C(=O)N)NCC2C(C(C(C(O2)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O	IC50 = 6700000 nM	Non binder
T72835	E-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 = 500000 nM	Non binder
T72835	E-selectin	B7B2SV	Chembl441199	Investigative	90664164	C50H81N9O28	1256.2	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)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)CO)NC(=O)[C@H](C)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)CNC(=O)[C@@H]6CCCN6C(=O)CN)NC(=O)C)O)O)O	IC50 = 5000000 nM	Non binder
T72835	E-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
T72835	E-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 = 360000 nM	Non binder
T72835	E-selectin	B84FHL	Chembl264987	Investigative	90664162	C47H79N5O25S	1146.2	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)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)CO)OCCCCCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6)NC(=O)C)O)O)O	IC50 = 590000 nM	Non binder
T72835	E-selectin	B87XEF	2-[3-[2-(3,4,5-Trihydroxybenzoyl)oxyphenyl]phenyl]acetic acid	Investigative	16115893	C21H16O7	380.3	C1=CC=C(C(=C1)C2=CC=CC(=C2)CC(=O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-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 = 1000000 nM	Non binder
T72835	E-selectin	B8GW2H	2-[5-[2-[[3-(3,4,5-Trihydroxyphenyl)benzoyl]amino]phenyl]thiophen-2-yl]acetic acid	Investigative	16116558	C25H19NO6S	461.5	C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)C3=CC=CC(=C3)C4=CC(=C(C(=C4)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-selectin	B8JF5P	Lithium;3-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoate	Investigative	90663369	C19H19LiO8	382.3	[Li+].C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)[O-])O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 16000000 nM	Non binder
T72835	E-selectin	B8P2JV	2-[2-(3,4,5-Trihydroxy-6-{3-[4-(4-phenoxy-phenoxy)-phenyl]-propoxymethyl}-tetrahydro-pyran-2-yl)-acetylamino]-pentanedioic acid	Investigative	44315330	C34H39NO12	653.7	C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=C(C=C3)CCCOCC4C(C(C(C(O4)CC(=O)NC(CCC(=O)O)C(=O)O)O)O)O	IC50 = 350000 nM	Non binder
T72835	E-selectin	B8RUJ2	2-{(1-Phenethylcarbamoyl-ethyl)-[2-(3,4,5-trihydroxy-6-phenoxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314996	C30H38N2O11	602.6	CC(C(=O)NCCC1=CC=CC=C1)N(C(CCC(=O)O)C(=O)O)C(=O)CC2C(C(C(C(O2)COC3=CC=CC=C3)O)O)O	IC50 > 2500000 nM	Non binder
T72835	E-selectin	B8WUQ4	((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)-carbamic acid	Investigative	44399147	C9H15NO7	249.22	C1[C@H](C([C@@H](CC1(C(=O)NCC(=O)O)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-selectin	B92NZC	2-{[3-Carboxy-1-(methoxycarbonylmethyl-carbamoyl)-propyl]-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314968	C21H32N2O15	552.5	COC(=O)CNC(=O)C(CCC(=O)O)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 3000000 nM	Non binder
T72835	E-selectin	B95QSD	5-({6-[(1,3-Dicarboxy-propylcarbamoyl)-methyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl}-amino)-isophthalic acid	Investigative	44286164	C21H26N2O13	514.4	C1=C(C=C(C=C1C(=O)O)NCC2C(C(C(C(O2)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O)C(=O)O	IC50 = 6000000 nM	Non binder
T72835	E-selectin	B98ATH	Chembl334704	Investigative	90664147	C27H36Na2O14	630.5	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)C(=O)[O-])O)O[C@@H](CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+].[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	B9AP3L	(2S)-2-[[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]pentanedioic acid	Investigative	90664153	C24H27NO11	505.5	C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 15800000 nM	Non binder
T72835	E-selectin	B9L1JY	Chembl173041	Investigative	90664191	C46H72NNaO21	998	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)O[C@@H](CC4CCCCC4)C(=O)[O-])O)CO)OCCCCCCCCC(=O)OC)NC(=O)C5=CC(=C(C=C5)OC)OC)O)O)O.[Na+]	IC50 = 1500000 nM	Non binder
T72835	E-selectin	B9QI7H	(4R)-5-(Methylamino)-5-oxo-4-[[(2S)-2-(2-tetradecylhexadecanoylamino)-3-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl]amino]pentanoic acid	Investigative	71715994	C45H85N3O11	844.2	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)NC	IC50 > 1000000 nM	Non binder
T72835	E-selectin	B9YA5F	2-[3-[5-Methyl-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71720283	C21H24O9	420.4	CC1=CC(=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)CO)O)O)O)C3=CC(=CC=C3)OCC(=O)O	IC50 = 14000000 nM	Non binder
T72835	E-selectin	B9ZKA7	Sodium; (S)-3-phenyl-2-{2,3,5-trihydroxy-6-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-cyclohexyloxy]-tetrahydro-pyran-4-yloxy}-propionate	Investigative	90664143	C27H39NaO13	594.6	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O[C@@H](CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+]	IC50 = 350000 nM	Non binder
T72835	E-selectin	BA57RQ	beta-Mannosylglutamate	Investigative	46881518	C11H19NO9	309.27	C(CC(=O)O)[C@@H](C(=O)O)N[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O	IC50 = 6000000 nM	Non binder
T72835	E-selectin	BAC17I	(4R)-5-(Methylamino)-5-oxo-4-[[(2R)-2-(2-tetradecylhexadecanoylamino)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropanoyl]amino]pentanoic acid	Investigative	118719305	C45H85N3O10	828.2	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)O)O)O)C(=O)N[C@H](CCC(=O)O)C(=O)NC	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BAN36L	(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-(6-aminohexoxy)-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	90664165	C37H65N3O23	919.9	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)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)CO)OCCCCCCN)NC(=O)C)O)O)O	IC50 = 1000000 nM	Non binder
T72835	E-selectin	BAR64J	2-[2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-pentanedioic acid	Investigative	44285933	C13H21NO10	351.31	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 3000000 nM	Non binder
T72835	E-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
T72835	E-selectin	BB65LY	Ethoxy-[3-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]propyl]phosphinic acid	Investigative	71719069	C23H31O9P	482.5	CCOP(=O)(CCCC1=CC(=CC=C1)C2=CC=CC=C2O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)O	IC50 = 34400000 nM	Non binder
T72835	E-selectin	BBCY48	2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]ethanesulfonic acid	Investigative	71716634	C20H24O9S	440.5	C1=CC=C(C(=C1)C2=CC=CC(=C2)CCS(=O)(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 20000000 nM	Non binder
T72835	E-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
T72835	E-selectin	BBIR40	6-Amino-2-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-hexanoic acid	Investigative	44286241	C14H26N2O8	350.36	C(CCN)C[C@H](C(=O)O)NC(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 7000000 nM	Non binder
T72835	E-selectin	BC1J9V	3-[[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]propanoic acid	Investigative	71718487	C22H25NO9	447.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NCCC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 36000000 nM	Non binder
T72835	E-selectin	BC2L9G	2-[[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]methoxy]acetic acid	Investigative	71720286	C21H24O9	420.4	C1=CC=C(C(=C1)C2=CC=CC(=C2)COCC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 9500000 nM	Non binder
T72835	E-selectin	BC3MF7	Sodium;(2S)-2-[2-carbamoyl-3,5-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl]oxyoxan-4-yl]oxy-3-cyclohexylpropanoate	Investigative	44360868	C27H44NNaO13	613.6	CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)C(=O)N)O)O[C@@H](CC4CCCCC4)C(=O)[O-])O)O)O)O.[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BC7X1T	Chembl405132	Investigative	90664166	C41H69N3O26	1020	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)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)CO)OCCCCCCNC(=O)CCC(=O)O)NC(=O)C)O)O)O	IC50 = 1150000 nM	Non binder
T72835	E-selectin	BCW42A	(5-{2-[4-(2,3,4-Trihydroxy-phenyl)-butyrylamino]-phenyl}-thiophen-2-yl)-acetic acid	Investigative	16116555	C22H21NO6S	427.5	C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)CCCC3=C(C(=C(C=C3)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-selectin	BD1V0X	2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]propanoic acid	Investigative	71720285	C21H24O8	404.4	CC(C1=CC=CC(=C1)C2=CC=CC=C2O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O	IC50 = 20000000 nM	Non binder
T72835	E-selectin	BD2BS3	N-Methyl-3-[(R)-2-(2-tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-succinamic acid	Investigative	44356439	C44H83N3O10	814.1	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1C(C(C(C(O1)C)O)O)O)C(=O)NC(CC(=O)O)C(=O)NC	IC50 > 500000 nM	Non binder
T72835	E-selectin	BDP0C5	[4-Methoxy-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-phenyl]-acetic acid	Investigative	44340567	C15H20O7	312.31	CC1C(C(C(C(O1)C2=C(C=CC(=C2)CC(=O)O)OC)O)O)O	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BDV9J6	2-[3-[5-[[4-[4-[[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]phenoxy]phenyl]methyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid	Investigative	71720274	C54H54O17	975	C1=CC(=CC(=C1)C2=C(C=CC(=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)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)O[C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)CO)O)O)O)CC(=O)O	IC50 = 2500000 nM	Non binder
T72835	E-selectin	BDY93T	2-[2-([1-Phenethylcarbamoyl-2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-ethyl]-{3-[4-(4-phenoxy-phenoxy)-phenyl]-propionyl}-amino)-acetylamino]-pentanedioic acid	Investigative	44315290	C45H51N3O13	841.9	CC1C(C(C(C(O1)CC(C(=O)NCCC2=CC=CC=C2)N(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)CCC3=CC=C(C=C3)OC4=CC=C(C=C4)OC5=CC=CC=C5)O)O)O	IC50 = 530000 nM	Non binder
T72835	E-selectin	BE7C2K	2-[3-[5-[4-[3-[3-(Carboxymethyl)phenyl]-4-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butyl]-2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid	Investigative	71720272	C44H50O16	834.9	C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCC3=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
T72835	E-selectin	BE7R4M	5-(2-{2-[5-Acetylamino-2-hydroxymethyl-4-(2,3,4-trihydroxy-5-methoxy-hexyloxy)-tetrahydro-pyran-3-yloxy]-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-4-yloxy}-acetylamino)-2,4-dihydroxy-6-(1,2,3-trihydroxy-propyl)-tetrahydro-pyran-2-carboxylic acid	Investigative	44387290	C30H50N2O22	790.7	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)NC(=O)C)O)O)O	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BEA31N	(2S,4R,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methyl]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid	Investigative	90664262	C32H54N2O22	818.8	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C[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)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)CO)O)NC(=O)C)O)O)O	IC50 = 700000 nM	Non binder
T72835	E-selectin	BESI18	Chembl446630	Investigative	90664170	C35H62N2O22	862.9	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)O[C@@]4(C[C@H](C[C@@H](O4)[C@@H]([C@@H](CO)O)O)O)C(=O)O)O)CO)OCCCCCCN)NC(=O)C)O)O)O	IC50 = 700000 nM	Non binder
T72835	E-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 > 1000000 nM	Non binder
T72835	E-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
T72835	E-selectin	BG8D3K	2-[4-Methyl-3-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71717847	C21H24O9	420.4	CC1=C(C=C(C=C1)OCC(=O)O)C2=CC=CC=C2O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 20200000 nM	Non binder
T72835	E-selectin	BGO14Z	2-[[1-(Methoxycarbonylmethyl-carbamoyl)-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-ethyl]-(3-methoxycarbonyl-propionyl)-amino]-pentanedioic acid	Investigative	44315261	C22H34N2O15	566.5	COC(=O)CCC(=O)N(C(CCC(=O)O)C(=O)O)C(CC1C(C(C(C(O1)CO)O)O)O)C(=O)NCC(=O)OC	IC50 = 3000000 nM	Non binder
T72835	E-selectin	BH8Z9T	4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoic acid	Investigative	71719679	C19H20O8	376.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 14600000 nM	Non binder
T72835	E-selectin	BH9O6L	(2S,4R,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6R)-2-[(1R,2R,3R,4R,6S)-3-acetamido-6-(hydroxymethyl)-4-(9-methoxy-9-oxononoxy)-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxy-3,5,6-trihydroxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid	Investigative	70696227	C41H70N2O24	975	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H]([C@@H](C[C@H]([C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)O)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)CO)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O	IC50 = 889000 nM	Non binder
T72835	E-selectin	BHNJ63	2-{[1-(Methoxycarbonylmethyl-carbamoyl)-ethyl]-[2-(3,4,5-trihydroxy-6-phenoxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314807	C25H34N2O13	570.5	CC(C(=O)NCC(=O)OC)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)COC2=CC=CC=C2)O)O)O	IC50 > 2500000 nM	Non binder
T72835	E-selectin	BI31HW	(S)-2-(2,2-Difluoro-2-((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)pentanedioic acid	Investigative	46881517	C13H19F2NO10	387.29	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F	IC50 = 15000000 nM	Non binder
T72835	E-selectin	BI3QP9	Sodium;2-[2-(benzamidomethyl)-3,5-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl]oxyoxan-4-yl]oxy-3-phenylpropanoate	Investigative	44360912	C34H44NNaO13	697.7	CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CNC(=O)C4=CC=CC=C4)O)OC(CC5=CC=CC=C5)C(=O)[O-])O)O)O)O.[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-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 = 2000000 nM	Non binder
T72835	E-selectin	BIR19V	5-[(2R,4S)-2-[[(2S,3R)-1-[2-[2-[2-[[(2S)-1,5-Dihexadecoxy-1,5-dioxopentan-2-yl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325713	C63H116N4O17	1201.6	CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NCCOCCOCCNC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@H]2C[C@@H](CN2C(=O)CCCC(=O)O)O	IC50 = 500000 nM	Non binder
T72835	E-selectin	BIX13F	2-{{2-[6-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-ethoxy}-butoxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yl]-acetyl}-[1-(methoxycarbonylmethyl-carbamoyl)-ethyl]-amino}-pentanedioic acid	Investigative	44314839	C31H54N2O17	726.8	CCOCCOCCOCCOCCCCOCC1C(C(C(C(O1)CC(=O)N(C(C)C(=O)NCC(=O)OC)C(CCC(=O)O)C(=O)O)O)O)O	IC50 = 300000 nM	Non binder
T72835	E-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 = 300000 nM	Non binder
T72835	E-selectin	BJFH94	(4S)-5-(Methylamino)-5-oxo-4-[[(2S)-2-(2-tetradecylhexadecanoylamino)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypropanoyl]amino]pentanoic acid	Investigative	118719302	C45H85N3O10	828.2	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C)O)O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BJH69N	3-(2,2-Difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)benzoic acid	Investigative	46881485	C15H17F2NO8	377.29	C1=CC(=CC(=C1)NC(=O)C([C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(F)F)C(=O)O	IC50 = 5000000 nM	Non binder
T72835	E-selectin	BJNE45	(2S)-2-[[(3R,5R)-1,3,4,5-Tetrahydroxycyclohexanecarbonyl]amino]propanoic acid	Investigative	44399253	C10H17NO7	263.24	C[C@@H](C(=O)O)NC(=O)C1(C[C@H](C([C@@H](C1)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-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 = 4000000 nM	Non binder
T72835	E-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 > 1000000 nM	Non binder
T72835	E-selectin	BK93WV	(2S)-3-Hydroxy-2-[[(3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarbonyl]amino]propanoic acid	Investigative	11680708	C10H17NO8	279.24	C1[C@H](C([C@@H](CC1(C(=O)N[C@@H](CO)C(=O)O)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-selectin	BKC43F	2-[[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]acetic acid	Investigative	71717848	C21H23NO9	433.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 4600000 nM	Non binder
T72835	E-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 = 500000 nM	Non binder
T72835	E-selectin	BKT96M	(2S,4R,5R,6S)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(3S,4S,5S,6R)-5-acetamido-2-(hydroxymethyl)-6-(9-methoxy-9-oxononoxy)-4-[(2S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid	Investigative	71717829	C41H70N2O25	991	C[C@@H]1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H]([C@@H](OC([C@H]2O[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(C(CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OCCCCCCCCC(=O)OC)NC(=O)C)O)O)O	IC50 = 1000000 nM	Non binder
T72835	E-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 > 1000000 nM	Non binder
T72835	E-selectin	BL41JF	N-[(2R,3S,4R,5S,6S)-2-Ethoxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]naphthalene-2-carboxamide	Investigative	71718477	C31H43NO15	669.7	CCO[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[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)C)O)O)O)NC(=O)C4=CC5=CC=CC=C5C=C4	IC50 > 6600000 nM	Non binder
T72835	E-selectin	BL82PS	Chembl413369	Investigative	90664160	C49H78N4O26	1139.2	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)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)CO)OCCCCCCNC(=O)C5CCC(CC5)CN6C(=O)C=CC6=O)NC(=O)C)O)O)O	IC50 = 280000 nM	Non binder
T72835	E-selectin	BMIY86	5-[(2S,3R,4S)-3,4-Dihydroxy-2-[[(1R,2R)-2-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325932	C22H36N2O11	504.5	C[C@H]1[C@H](C(C([C@@H](O1)O[C@@H]2CCCC[C@H]2NC(=O)[C@@H]3[C@H]([C@H](CN3C(=O)CCCC(=O)O)O)O)O)O)O	IC50 = 5000000 nM	Non binder
T72835	E-selectin	BMJ82R	Sodium;2-[2-(acetamidomethyl)-3,5-dihydroxy-6-[2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxycyclohexyl]oxyoxan-4-yl]oxy-3-phenylpropanoate	Investigative	44360870	C29H42NNaO13	635.6	CC1C(C(C(C(O1)OC2CCCCC2OC3C(C(C(C(O3)CNC(=O)C)O)OC(CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BMR6S2	Sodium;(2S,4R,5R,6R)-5-acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6S)-5-acetamido-6-[(2R,3S,4S,5S,6S)-2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-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-carboxylate	Investigative	73355972	C39H65N2NaO28	1032.9	CCO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[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[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[C@H]5[C@H]([C@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O.[Na+]	IC50 = 1000000 nM	Non binder
T72835	E-selectin	BN4BW5	2-[3-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71719067	C20H22O9	406.4	C1=CC=C(C(=C1)C2=CC(=CC=C2)OCC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 4900000 nM	Non binder
T72835	E-selectin	BN73VI	[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-Acetamido-2-(hydroxymethyl)-6-(2-tetradecylhexadecoxy)-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] 5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate	Investigative	71719057	C61H112N2O22	1225.5	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[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)OC(=O)C3CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)O)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O)NC(=O)C	IC50 = 330000 nM	Non binder
T72835	E-selectin	BNL87T	Pentasaccharide (arabinose)	Investigative	90664107	C38H65N3O28	1011.9	CCO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O[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[C@@]4(C[C@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)ON)O)O[C@H]5[C@H]([C@H]([C@@H](CO5)O)O)O)NC(=O)C)O	IC50 = 5000000 nM	Non binder
T72835	E-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 = 400000 nM	Non binder
T72835	E-selectin	BO2T8R	(2R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R)-1,4-Dimethoxy-1,4-dioxo-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid	Investigative	71450419	C27H38O17	634.6	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C(=O)OC)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H](CC3=CC=CC=C3)C(=O)O)O)C(=O)OC)O)O)O	IC50 = 5460000 nM	Non binder
T72835	E-selectin	BO49KG	(2S)-3-Phenyl-2-[[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]propanoic acid	Investigative	90664156	C28H29NO9	523.5	C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O	IC50 = 3800000 nM	Non binder
T72835	E-selectin	BOF75X	5-[(2R,4S)-2-[[(2S,3R)-1-[[2-[[(2S)-1,5-Dihexadecoxy-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325797	C59H106N4O16	1127.5	CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CNC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@H]2C[C@@H](CN2C(=O)CCCC(=O)O)O	IC50 = 500000 nM	Non binder
T72835	E-selectin	BOL02Y	Sodium; 3,5-dihydroxy-2-[5-hydroxy-2-hydroxymethyl-6-(2-tetradecyl-hexadecyloxy)-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yloxy]-6-hydroxymethyl-tetrahydro-pyran-4-sulfonate	Investigative	76335199	C48H91NaO17S	995.3	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[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)S(=O)(=O)[O-])O)O[C@@H]3[C@H]([C@H]([C@@H]([C@@H](O3)C)O)O)O)O.[Na+]	IC50 = 280000 nM	Non binder
T72835	E-selectin	BOV6Q2	2-[2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-succinic acid	Investigative	44286390	C12H19NO10	337.28	C(C1C(C(C(C(O1)CO)O)O)O)C(=O)N[C@H](CC(=O)O)C(=O)O	IC50 = 6000000 nM	Non binder
T72835	E-selectin	BOXH78	Chembl262168	Investigative	90664145	C27H42Na2O14	636.6	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)C(=O)[O-])O)O[C@@H](CC4CCCCC4)C(=O)[O-])O)O)O)O.[Na+].[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BP35RM	(2S,4R,5R,6R)-5-Acetamido-2-[(2S,3S,4S,5S,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-[6-[[3-carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]carbamothioylamino]hexoxy]-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	90664161	C58H76N4O28S	1309.3	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)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)CO)OCCCCCCNC(=S)NC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O)NC(=O)C)O)O)O	IC50 = 650000 nM	Non binder
T72835	E-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 = 240000 nM	Non binder
T72835	E-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 > 500000 nM	Non binder
T72835	E-selectin	BP9BL5	2-[2-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]acetic acid	Investigative	71717239	C20H22O9	406.4	C1=CC=C(C(=C1)C2=CC=CC=C2O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)OCC(=O)O	IC50 = 20000000 nM	Non binder
T72835	E-selectin	BPUJ51	Chembl154747	Investigative	90664171	C35H63N3O22	877.9	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)O[C@@]4(C[C@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)N)O)C(=O)O)O)CO)OCCCCCCN)NC(=O)C)O)O)O	IC50 = 900000 nM	Non binder
T72835	E-selectin	BQ16HF	3-{4-[2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-phenyl}-propionic acid	Investigative	44285871	C17H23NO8	369.4	C1=CC(=CC=C1CCC(=O)O)NC(=O)CC2C(C(C(C(O2)CO)O)O)O	IC50 = 10000000 nM	Non binder
T72835	E-selectin	BQ6WY5	4-{4-[2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-phenyl}-butyric acid	Investigative	44285918	C18H25NO8	383.4	C1=CC(=CC=C1CCCC(=O)O)NC(=O)CC2C(C(C(C(O2)CO)O)O)O	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BQER36	2-[5-[2-[[2-[3-(2,3,4-Trihydroxyphenyl)phenyl]acetyl]amino]phenyl]thiophen-2-yl]acetic acid	Investigative	44420662	C26H21NO6S	475.5	C1=CC=C(C(=C1)C2=CC=C(S2)CC(=O)O)NC(=O)CC3=CC(=CC=C3)C4=C(C(=C(C=C4)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-selectin	BQG1I4	2-{2-[6-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-ethoxy}-butoxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yl]-acetylamino}-pentanedioic acid	Investigative	44315332	C25H45NO14	583.6	CCOCCOCCOCCOCCCCOCC1C(C(C(C(O1)CC(=O)NC(CCC(=O)O)C(=O)O)O)O)O	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BQG50J	2-[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenyl]acetic acid	Investigative	71720287	C20H22O8	390.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)CC(=O)O)O[C@@H]3[C@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O	IC50 = 2600000 nM	Non binder
T72835	E-selectin	BQMA30	2-{[3-Carboxy-1-(carboxymethyl-carbamoyl)-propyl]-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314950	C20H30N2O15	538.5	C(CC(=O)O)C(C(=O)NCC(=O)O)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)CO)O)O)O	IC50 = 3000000 nM	Non binder
T72835	E-selectin	BQOW08	Chembl141594	Investigative	90664149	C27H38Na2O16S	696.6	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)COS(=O)(=O)[O-])O)O[C@@H](CC4=CC=CC=C4)C(=O)[O-])O)O)O)O.[Na+].[Na+]	IC50 > 10000000 nM	Non binder
T72835	E-selectin	BR06JU	3-(2,2-Difluoro-2-((2R,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)benzoic acid	Investigative	46881483	C15H17F2NO9	393.29	C1=CC(=CC(=C1)NC(=O)C([C@]2([C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)(F)F)C(=O)O	IC50 = 5000000 nM	Non binder
T72835	E-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
T72835	E-selectin	BR6FG4	1-[4-Methoxy-3-(3,4,5-trihydroxy-tetrahydro-pyran-2-yl)-phenyl]-cyclohexanecarboxylic acid	Investigative	44340638	C19H26O7	366.4	COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)O)C3C(C(C(CO3)O)O)O	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BRI9C5	2-(2-{{1-Phenethylcarbamoyl-3-[4-(4-phenoxy-phenoxy)-phenyl]-propyl}-[2-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-acetylamino)-pentanedioic acid	Investigative	44315291	C45H51N3O13	841.9	CC1C(C(C(C(O1)CC(=O)N(CC(=O)NC(CCC(=O)O)C(=O)O)C(CCC2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5)O)O)O	IC50 = 950000 nM	Non binder
T72835	E-selectin	BRQN65	1-[4-Methoxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]phenyl]cyclohexane-1-carboxylic acid	Investigative	71452644	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 > 1000000 nM	Non binder
T72835	E-selectin	BSH53I	1-[4-Methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-phenyl]-cyclohexanecarboxylic acid	Investigative	44340639	C20H28O8	396.4	COC1=C(C=C(C=C1)C2(CCCCC2)C(=O)O)C3C(C(C(C(O3)CO)O)O)O	IC50 > 1000000 nM	Non binder
T72835	E-selectin	BSI83X	2-[(2S,3S,4S,5S,6R)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yloxy]oxan-4-yl]oxyacetic acid	Investigative	71715999	C18H32O13	456.4	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(C)C(C)O[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)OCC(=O)O)O)O)O)O	IC50 = 2100000 nM	Non binder
T72835	E-selectin	BSN7M6	2-[(R)-2-(2-Tetradecyl-hexadecanoylamino)-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-propionylamino]-pentanedioic acid 1-methyl ester	Investigative	44356616	C45H84N2O11	829.2	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](COC1C(C(C(C(O1)C)O)O)O)C(=O)NC(CCC(=O)O)C(=O)OC	IC50 > 500000 nM	Non binder
T72835	E-selectin	BSO31X	2-[(2S,3S,4S,5S,6R)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxyacetic acid	Investigative	71717206	C20H34O13	482.5	C[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2CCCCC2O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)OCC(=O)O)O)O)O)O	IC50 = 500000 nM	Non binder
T72835	E-selectin	BSWT15	5-[(2R,4R)-2-[[(2S,3R)-1-Ethoxy-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325913	C22H36N2O12	520.5	CCOC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@H]2C[C@H](CN2C(=O)CCCC(=O)O)O	IC50 = 3000000 nM	Non binder
T72835	E-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
T72835	E-selectin	BT71RC	N-[(2R,3S,4R,5S,6S)-2-Ethoxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide	Investigative	71716622	C22H39NO15	557.5	CCO[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[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)C)O)O)O)NC(=O)C	IC50 > 6600000 nM	Non binder
T72835	E-selectin	BU79CE	(S)-2-(2,2-Difluoro-2-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)acetamido)pentanedioic acid	Investigative	46881484	C13H19F2NO10	387.29	C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(F)F	IC50 = 3000000 nM	Non binder
T72835	E-selectin	BU9W7J	(2S,4S,5R,6R)-5-Acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-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	73354415	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 = 300000 nM	Non binder
T72835	E-selectin	BUX6S4	3'-O-Sulfated sialyl Lewis x	Investigative	23709469	C48H91NaO18S	1011.3	CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[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)OS(=O)(=O)[O-])O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O.[Na+]	IC50 = 280000 nM	Non binder
T72835	E-selectin	BVK6U0	(2R)-2-[(2S,3R,4S,5S,6R)-3-Benzoyloxy-2-[(2R,3R)-1,4-dioxo-1,4-di(propan-2-yloxy)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid	Investigative	118714546	C38H50O18	794.8	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C(=O)OC(C)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H](CC3=CC=CC=C3)C(=O)O)OC(=O)C4=CC=CC=C4)C(=O)OC(C)C)O)O)O	IC50 = 220000 nM	Non binder
T72835	E-selectin	BVKT14	(2S)-3-Methyl-2-[[(3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarbonyl]amino]pentanoic acid	Investigative	11558561	C13H23NO7	305.32	CCC(C)[C@@H](C(=O)O)NC(=O)C1(C[C@H](C([C@@H](C1)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-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 > 1000000 nM	Non binder
T72835	E-selectin	BW98QN	(1S,3R,4S,5R)-4-Acetamido-1-[(2S,3S,4S,5R,6S)-2-[(2S,3S,4R,5S,6R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-hydroxy-5-[(1S,2R)-1,2,3-trihydroxypropyl]cyclohexane-1-carboxylic acid	Investigative	90664222	C32H54N2O22	818.8	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)O[C@]4(C[C@H]([C@@H]([C@@H](C4)O)NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O)O)CO)O)NC(=O)C)O)O)O	IC50 = 700000 nM	Non binder
T72835	E-selectin	BWK3F9	2-{(1-Tert-Butylcarbamoyl-ethyl)-[2-(3,4,5-trihydroxy-6-phenoxymethyl-tetrahydro-pyran-2-yl)-acetyl]-amino}-pentanedioic acid	Investigative	44314993	C26H38N2O11	554.6	CC(C(=O)NC(C)(C)C)N(C(CCC(=O)O)C(=O)O)C(=O)CC1C(C(C(C(O1)COC2=CC=CC=C2)O)O)O	IC50 > 2500000 nM	Non binder
T72835	E-selectin	BWN09J	4-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)-amino]-butyric acid	Investigative	44399068	C11H19NO7	277.27	C1[C@H](C([C@@H](CC1(C(=O)NCCCC(=O)O)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-selectin	BX2J7I	5-[[(2R,3R)-1-[[(2S,3R)-1-Ethoxy-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]amino]-3,4-dihydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid	Investigative	44325958	C21H36N2O13	524.5	CCOC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@@H]([C@H](CO)O)NC(=O)CCCC(=O)O	IC50 = 500000 nM	Non binder
T72835	E-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 > 500000 nM	Non binder
T72835	E-selectin	BYP0L4	(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2R)-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid	Investigative	44456838	C29H49NO19	715.7	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2CCCC[C@H]2O[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 = 600000 nM	Non binder
T72835	E-selectin	BYZ1L5	3-Phenyl-2-[[4-[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]benzoyl]amino]propanoic acid	Investigative	71719678	C28H29NO9	523.5	C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3O[C@@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O	IC50 = 11500000 nM	Non binder
T72835	E-selectin	BZB2F1	(S)-2-[((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)-amino]-pentanedioic acid	Investigative	44399232	C12H19NO9	321.28	C1[C@H](C([C@@H](CC1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O)O)O	IC50 > 50000000 nM	Non binder
T72835	E-selectin	BZM09L	5-[(2S,4R)-2-[[(2S,3R)-1-Ethoxy-1-oxo-3-[(2R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-5-oxopentanoic acid	Investigative	44325844	C22H36N2O12	520.5	CCOC(=O)[C@H]([C@@H](C)O[C@H]1C(C([C@@H]([C@@H](O1)C)O)O)O)NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCC(=O)O)O	IC50 = 300000 nM	Non binder
T72835	E-selectin	D0E9NT	2,3,4-trihydroxybenzoic acid	Investigative	11874	C7H6O5	170.12	C1=CC(=C(C(=C1C(=O)O)O)O)O	IC50 > 500000 nM	Non binder
T72835	E-selectin	D0Y3TZ	GALLICACID	Investigative	370	C7H6O5	170.12	C1=C(C=C(C(=C1O)O)O)C(=O)O	IC50 > 500000 nM	Non binder