TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T10965	P-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 = 70000 nM	Poor binder
T10965	P-selectin	B0N8OB	2-(4-Chloro-benzyl)-3-hydroxy-8-phenyl-quinoline-4-carboxylic Acid	Investigative	11383708	C23H16ClNO3	389.8	C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)CC4=CC=C(C=C4)Cl)O)C(=O)O	IC50 = 200000 nM	Poor binder
T10965	P-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 = 118000 nM	Poor binder
T10965	P-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 = 127000 nM	Poor binder
T10965	P-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 = 160000 nM	Poor binder
T10965	P-selectin	B2THK4	2-(4-Chlorobenzyl)-3-(thiophene-2-carbonyloxy)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100094	C26H20ClNO4S	478	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)OC(=O)C5=CC=CS5)C(=O)O	IC50 = 175000 nM	Poor binder
T10965	P-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 = 53900 nM	Poor binder
T10965	P-selectin	B4UIE5	2-((5-Bromo-1H-indol-3-yl)methyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100082	C23H19BrN2O3	451.3	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CNC5=C4C=C(C=C5)Br)O)C(=O)O	IC50 = 175000 nM	Poor binder
T10965	P-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 = 200000 nM	Poor binder
T10965	P-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 = 70000 nM	Poor binder
T10965	P-selectin	B72FDG	4-[5-[4-[(E)-2-(Hexadecylcarbamoyl)vinyl]phenyl]-1H-imidazole-4-yl]cinnamic acid	Investigative	10886395	C37H49N3O3	583.8	CCCCCCCCCCCCCCCCNC(=O)/C=C/C1=CC=C(C=C1)C2=C(NC=N2)C3=CC=C(C=C3)/C=C/C(=O)O	IC50 = 98000 nM	Poor binder
T10965	P-selectin	B7VYT0	2-[(2,5-Dichlorophenyl)methylamino]-N-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylamino)pyrimidine-5-carboxamide	Investigative	71553083	C23H31Cl2N7O	492.4	CN1CCC(CC1)NC(=O)C2=CN=C(N=C2NC3CCNCC3)NCC4=C(C=CC(=C4)Cl)Cl	IC50 ~ 80000 nM	Poor binder
T10965	P-selectin	B82WFK	2-(4-Chlorobenzyl)-8-(fur-3-yl)-3-hydroxyquinoline-4-carboxylic Acid	Investigative	11188155	C21H14ClNO4	379.8	C1=CC2=C(C(=C(N=C2C(=C1)C3=COC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O	IC50 = 150000 nM	Poor binder
T10965	P-selectin	B8L7AQ	Galactocerebroside	Investigative	44339430	C25H47NO9	505.6	CCCCCCCCCCCCC/C=C\\C(C(CO)NC(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O	IC50 ~ 50000 nM	Poor binder
T10965	P-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 = 85000 nM	Poor binder
T10965	P-selectin	B94LCO	3-Hydroxy-2-((5-methyl-1H-indol-3-yl)methyl)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100084	C24H22N2O3	386.4	CC1=CC2=C(C=C1)NC=C2CC3=C(C(=C4C=CC5=C(C4=N3)CCCC5)C(=O)O)O	IC50 = 200000 nM	Poor binder
T10965	P-selectin	BC62WT	3-{4-[5-{4-[2-(3-Phenyl-propylcarbamoyl)-vinyl]-phenyl}-2-(4-pyrrolidin-1-yl-phenyl)-1H-imidazol-4-yl]-phenyl}-4,5-dihydro-isoxazole-5-carboxylic acid	Investigative	9852751	C41H39N5O4	665.8	C1CCN(C1)C2=CC=C(C=C2)C3=NC(=C(N3)C4=CC=C(C=C4)/C=C/C(=O)NCCCC5=CC=CC=C5)C6=CC=C(C=C6)C7=NOC(C7)C(=O)O	IC50 = 50000 nM	Poor binder
T10965	P-selectin	BFON13	(2R)-2-[(2S,3R,4S,5S,6R)-3,5-Dibenzoyloxy-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-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid	Investigative	118714545	C41H46O19	842.8	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)OC(=O)C3=CC=CC=C3)O[C@H](CC4=CC=CC=C4)C(=O)O)OC(=O)C5=CC=CC=C5)C(=O)OC)O)O)O	IC50 = 110000 nM	Poor binder
T10965	P-selectin	BFY76B	3-Benzoyloxy-2-[(4-chlorophenyl)methyl]-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100095	C28H22ClNO4	471.9	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=C(C=C4)Cl)OC(=O)C5=CC=CC=C5)C(=O)O	IC50 = 190000 nM	Poor binder
T10965	P-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 = 142000 nM	Poor binder
T10965	P-selectin	BI9QV0	4-[4-[4-(5-Carboxy-2-isoxazoline-3-yl)phenyl]-5-[4-[(E)-2-(3-phenylpropylcarbamoyl)vinyl]phenyl]-1H-imidazole-2-yl]cinnamic acid	Investigative	10941391	C40H34N4O6	666.7	C1C(ON=C1C2=CC=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)/C=C/C(=O)O)C5=CC=C(C=C5)/C=C/C(=O)NCCCC6=CC=CC=C6)C(=O)O	IC50 = 100000 nM	Poor binder
T10965	P-selectin	BM0K1C	(5R,9S,13S,14R)-5,9,13-Trimethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid	Investigative	90664042	C26H42O8	482.6	C[C@]12CCC3[C@@]4(CCC[C@@](C4CC[C@@]3(C1)C[C@H]2O[C@@H]5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O)C	IC50 = 60000 nM	Poor binder
T10965	P-selectin	BM7KS8	2-(4-Chlorophenylamino)-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid	Investigative	16100189	C17H10ClF3N2O3	382.7	C1=CC2=C(C(=C(N=C2C(=C1)C(F)(F)F)NC3=CC=C(C=C3)Cl)O)C(=O)O	IC50 = 125000 nM	Poor binder
T10965	P-selectin	BN1U9A	2-(2-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]-quinoline-4-carboxylic acid	Investigative	11405964	C21H18ClNO3	367.8	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC=CC=C4Cl)O)C(=O)O	IC50 = 123000 nM	Poor binder
T10965	P-selectin	BNVJ29	(2R)-2-[(2S,3R,4S,5S,6R)-3,5-Dibenzoyloxy-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-6-(hydroxymethyl)oxan-4-yl]oxy-3-phenylpropanoic acid	Investigative	118714547	C45H54O19	898.9	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)OC(=O)C3=CC=CC=C3)O[C@H](CC4=CC=CC=C4)C(=O)O)OC(=O)C5=CC=CC=C5)C(=O)OC(C)C)O)O)O	IC50 = 67000 nM	Poor binder
T10965	P-selectin	BO70PU	(3S,4R)-4-[[2-(3,5-Dichloroanilino)-5-(4-fluorophenyl)pyrimidin-4-yl]amino]oxolan-3-ol	Investigative	71553156	C20H17Cl2FN4O2	435.3	C1[C@H]([C@@H](CO1)O)NC2=NC(=NC=C2C3=CC=C(C=C3)F)NC4=CC(=CC(=C4)Cl)Cl	IC50 ~ 80000 nM	Poor binder
T10965	P-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 = 100000 nM	Poor binder
T10965	P-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 = 57200 nM	Poor binder
T10965	P-selectin	BP7K4E	2-(Benzo[b]thiophen-3-ylmethyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	11280717	C23H19NO3S	389.5	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CSC5=CC=CC=C54)O)C(=O)O	IC50 = 100000 nM	Poor binder
T10965	P-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 = 76000 nM	Poor binder
T10965	P-selectin	BU2Z5L	2-(4-Chlorobenzyl)-3-(cyclohexanecarbonyloxy)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100096	C28H28ClNO4	478	C1CCC(CC1)C(=O)OC2=C(N=C3C4=C(CCCC4)C=CC3=C2C(=O)O)CC5=CC=C(C=C5)Cl	IC50 = 175000 nM	Poor binder
T10965	P-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 = 100000 nM	Poor binder
T10965	P-selectin	BV01DX	2-(3-Chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]-quinoline-4-carboxylic acid	Investigative	11210832	C21H18ClNO3	367.8	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CC(=CC=C4)Cl)O)C(=O)O	IC50 = 138000 nM	Poor binder
T10965	P-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 = 190000 nM	Poor binder
T10965	P-selectin	BW5VU8	3-Hydroxy-2-(5-methylthiophen-2-yl)-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100075	C19H17NO3S	339.4	CC1=CC=C(S1)C2=C(C(=C3C=CC4=C(C3=N2)CCCC4)C(=O)O)O	IC50 = 200000 nM	Poor binder
T10965	P-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 = 87000 nM	Poor binder
T10965	P-selectin	BX05JW	2-((5-Chloro-1H-indol-3-yl)methyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid	Investigative	16100080	C23H19ClN2O3	406.9	C1CCC2=C(C1)C=CC3=C(C(=C(N=C23)CC4=CNC5=C4C=C(C=C5)Cl)O)C(=O)O	IC50 = 175000 nM	Poor binder