TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T46040	Coagulation factor XI	B1GUP7	Mupain-1	Investigative	101862198	C51H73N13O16S2	1188.3	C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N1)N)C(=O)O)CC(=O)O)CC(C)C)CC3=CC=C(C=C3)O)CCCN=C(N)N)CO)CC4=CC=C(C=C4)O	Ki > 1000000 nM	Non binder
T46040	Coagulation factor XI	B1J0EM	[3-[3-[4-[4-[[5-(5-Methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] acetate	Investigative	71600127	C39H33N5O23S4	1068	CC(=O)OC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2CCCCN4C=C(N=N4)COC5=C(C=CC(=C5)C6=C(C(=O)C7=C(O6)C=C(C=C7OC)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IC50 = 407000 nM	Non binder
T46040	Coagulation factor XI	B7PFW8	Sodium;[3-ethoxycarbonyl-2-[(3-ethoxycarbonyl-2-methyl-1H-indol-5-yl)oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl] sulfate	Investigative	118723906	C29H31N2NaO11S	638.6	CCOC(=O)C1=C(NC2=C1C=C(C=C2)OCC3=C(C4=C(N3C(=O)OC(C)(C)C)C=CC(=C4)OS(=O)(=O)[O-])C(=O)OCC)C.[Na+]	IC50 = 220000 nM	Non binder
T46040	Coagulation factor XI	B8OYP1	Naphthalene-1-sulfonic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide	Investigative	44411808	C19H21N5O3S2	431.5	C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)C3=NC=CS3	IC50 = 250000 nM	Non binder
T46040	Coagulation factor XI	BEKZ38	[3-[3-[4-[4-[[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] acetate	Investigative	71601350	C37H31N7O16S3	925.9	CC(=O)OC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2CCCCN4C=C(N=N4)CN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC(=C7)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IC50 = 273000 nM	Non binder
T46040	Coagulation factor XI	BF8S5U	N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-naphthalen-1-yl-acetamide	Investigative	44411821	C21H23N5O2S	409.5	C1=CC=C2C(=C1)C=CC=C2CC(=O)N[C@@H](CCCN=C(N)N)C(=O)C3=NC=CS3	IC50 > 250000 nM	Non binder
T46040	Coagulation factor XI	BFP4I8	Naphthalene-2-carboxylic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide	Investigative	44411560	C20H21N5O2S	395.5	C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C3=NC=CS3	IC50 > 200000 nM	Non binder
T46040	Coagulation factor XI	BIE6S8	[3-[4-Oxo-3-[3-[4-[[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]propyl]quinazolin-2-yl]phenyl] hydrogen sulfate	Investigative	71600942	C34H27N7O10S2	757.8	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)OS(=O)(=O)O)CCCN4C=C(N=N4)CN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC=C7)OS(=O)(=O)O	IC50 = 320000 nM	Non binder
T46040	Coagulation factor XI	BIQ7L8	[2-Methoxy-4-[3-[4-[4-[[5-(5-methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]phenyl] hydrogen sulfate	Investigative	71600125	C38H33N5O22S4	1040	COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)O)OCC4=CN(N=N4)CCCCN5C(=NC6=CC=CC=C6C5=O)C7=CC(=C(C=C7)OS(=O)(=O)O)OC)OS(=O)(=O)O)OS(=O)(=O)O	IC50 = 216000 nM	Non binder
T46040	Coagulation factor XI	BJ4H8W	[4-[4-Oxo-3-[[1-[2-[4-[[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate	Investigative	71600261	C36H28N10O10S2	824.8	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)OS(=O)(=O)O)CC4=CN(N=N4)CCN5C=C(N=N5)CN6C(=NC7=CC=CC=C7C6=O)C8=CC=C(C=C8)OS(=O)(=O)O	IC50 = 305000 nM	Non binder
T46040	Coagulation factor XI	BJT5C2	[3-[3-[[1-[4-[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]butyl]triazol-4-yl]methyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] hydrogen sulfate	Investigative	71601351	C35H29N7O18S4	963.9	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC(=C3)OS(=O)(=O)O)OS(=O)(=O)O)CCCCN4C=C(N=N4)CN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC(=C7)OS(=O)(=O)O)OS(=O)(=O)O	IC50 > 1000000 nM	Non binder
T46040	Coagulation factor XI	BR8F7T	[3-[4-Oxo-3-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] acetate	Investigative	71600678	C37H31N7O8S	733.8	CC(=O)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2CC4=CN(N=N4)CCCCN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC=C7)OS(=O)(=O)O	IC50 > 1000000 nM	Non binder
T46040	Coagulation factor XI	BRIF94	[3-[3-[4-[4-[[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]phenyl] hydrogen sulfate	Investigative	71601212	C35H29N7O14S3	867.8	C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)OS(=O)(=O)O)CCCCN4C=C(N=N4)CN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC(=C7)OS(=O)(=O)O)OS(=O)(=O)O	IC50 = 213000 nM	Non binder
T46040	Coagulation factor XI	BS4YI2	(3E,9R,12S)-19-Chloro-9-cyclohexyl-12-(2-methylpropyl)-7,7-dioxo-7lambda6-thia-8,11,14,23-tetrazatricyclo[14.7.0.017,22]tricosa-1(16),3,17(22),18,20-pentaene-10,13-dione	Investigative	52941173	C28H39ClN4O4S	563.2	CC(C)C[C@H]1C(=O)NCC2=C(C/C=C/CCS(=O)(=O)N[C@@H](C(=O)N1)C3CCCCC3)NC4=C2C=C(C=C4)Cl	IC50 = 767800 nM	Non binder
T46040	Coagulation factor XI	BU8T0S	[4-(5-Methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methoxy]phenyl] hydrogen sulfate	Investigative	71600123	C37H31N5O21S4	1009.9	COC1=CC(=CC2=C1C(=O)C(=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)O)OCC4=CN(N=N4)CCCCN5C(=NC6=CC=CC=C6C5=O)C7=CC(=CC=C7)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O	IC50 > 1000000 nM	Non binder
T46040	Coagulation factor XI	BVS04D	(3R)-2-[2-(4-Chlorophenyl)acetyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide	Investigative	66573845	C28H26ClN3O4	504	C1COCC(=O)N1C2=CC=C(C=C2)NC(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)CC5=CC=C(C=C5)Cl	IC50 > 500000 nM	Non binder
T46040	Coagulation factor XI	BVT67H	5-[[3-Ethoxycarbonyl-5-[(3-ethoxycarbonyl-5-hydroxy-6-methoxy-1-benzofuran-2-yl)methoxy]-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid	Investigative	71734401	C37H34O15	718.7	CCOC(=O)C1=C(OC2=CC(=C(C=C21)O)OC)COC3=C(C=C4C(=C3)C(=C(O4)COC5=C(C=C6C(=C5)C(=C(O6)C)C(=O)O)OC)C(=O)OCC)OC	IC50 = 384000 nM	Non binder
T46040	Coagulation factor XI	BXG6I0	2-(3,4-Dihydroxyphenyl)-5-[[4-[[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxymethyl]phenyl]methoxy]-3,7-dihydroxychromen-4-one	Investigative	137632528	C38H26O14	706.6	C1=CC(=CC=C1COC2=CC(=CC3=C2C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)O)COC5=CC(=CC6=C5C(=O)C(=C(O6)C7=CC(=C(C=C7)O)O)O)O	IC50 = 208000 nM	Non binder