TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T86130	Integrin alpha-4/beta-1	B2QV8W	(4R,11R)-11-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,10-dioxo-1,2-dithia-5,9-diaza-cyclododecane-4-carboxylic acid	Investigative	10718617	C18H24N4O6S2	456.5	C1CNC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N	IC50 = 210000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B49BNM	(3S,6R,11R,14S)-3-(Carboxymethyl)-6-[[(2S)-2,6-diaminohexanoyl]amino]-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	10530953	C21H34N6O8S2	562.7	C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CC(=O)O)NC(=O)[C@H](CCCCN)N)C(=O)O	IC50 = 250000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B5B7GH	(S)-3-((R)-5-Methyl-3-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-hexanoylamino)-3-phenyl-propionic acid	Investigative	44331360	C32H38N4O5	558.7	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@H](CC(C)C)CC(=O)N[C@@H](CC(=O)O)C3=CC=CC=C3	IC50 = 262000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B6JQ1R	3-[2-Hydroxy-4-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid	Investigative	90667324	C25H22F3N3O5	501.5	C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)CCC(=O)O)O	IC50 > 500000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B6Y0CN	(S)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid	Investigative	44385762	C15H18N2O5S	338.4	CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O	IC50 = 263000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B7VPF3	[4-({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetic acid	Investigative	17255620	C16H13F3N2O3	338.28	C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)CC(=O)O	IC50 > 1000000 nM	Non binder
T86130	Integrin alpha-4/beta-1	B96GRM	(3S)-4-[[(2S)-1-Methoxy-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-4-methyl-2-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]-4-oxobutanoic acid	Investigative	90667312	C32H40F3N5O8	679.7	CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(F)(F)F	IC50 = 703000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BC7W2U	(3S,6R,11R,14S)-6-[[(2S)-2-[[(2S)-2-Amino-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(carboxymethyl)-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	10818515	C27H45N9O9S2	703.8	CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)CC(=O)O)C(=O)O)N	IC50 = 250000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BD39NQ	2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adamantane-1-carbonyl)-amino]-2-methoxycarbonyl-ethyldisulfanyl}-propionic acid methyl ester	Investigative	44386898	C30H44N2O6S2	592.8	COC(=O)[C@H](CSSC[C@@H](C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C45CC6CC(C4)CC(C6)C5	IC50 > 800000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BG12PX	Lithium;2-[[benzyl-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]carbamoyl]amino]-3-methylbutanoate	Investigative	44331438	C29H32LiN5O5	537.6	[Li+].CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NN(CC3=CC=CC=C3)C(=O)NC(C(C)C)C(=O)[O-]	IC50 > 500000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BG2IW6	(4R,9R)-9-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2,10-dioxo-6,7-dithia-3,11-diaza-bicyclo[11.3.1]heptadeca-1(17),13,15-triene-4-carboxylic acid	Investigative	10553946	C23H26N4O6S2	518.6	C1[C@@H](C(=O)NCC2=CC(=CC=C2)C(=O)N[C@@H](CSS1)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N	IC50 = 210000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BJ5BU3	[Benzyl[(3S)-3-[4-[3-(2-methylphenyl)ureido]phenylacetylamino]-5-methylhexanoyl]amino]acetic acid	Investigative	44331371	C32H38N4O5	558.7	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)CC(=O)N(CC3=CC=CC=C3)CC(=O)O	IC50 = 247000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BM0J5U	(4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-methyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid	Investigative	10647467	C18H24N4O6S2	456.5	C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)O	IC50 = 350000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BP81ZE	2-[(2S,5S)-5-Benzyl-7-(3-methylbutyl)-3,6-dioxo-1,4,7-thiadiazonan-2-yl]acetic acid	Investigative	44313669	C20H28N2O4S	392.5	CC(C)CCN1CCS[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC(=O)O	IC50 ~ 100000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BRPI28	3-[2-Hydroxy-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid	Investigative	90667313	C25H22F3N3O5	501.5	C1=CC=C(C(=C1)C(F)(F)F)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)O)CCC(=O)O	IC50 = 208900 nM	Non binder
T86130	Integrin alpha-4/beta-1	BTP4N3	2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetic acid	Investigative	57394181	C17H18N2O3	298.34	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)O	IC50 > 1000000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BV4UO3	Fibronectin CS1 Peptide	Investigative	9919150	C38H64N8O15	873	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)N	IC50 = 824000 nM	Non binder
T86130	Integrin alpha-4/beta-1	BVXR32	(4R,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid	Investigative	10694497	C17H22N4O6S2	442.5	C1[C@@H](C(=O)NCC(=O)N[C@@H](CSS1)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N	IC50 = 250000 nM	Non binder
T86130	Integrin alpha-4/beta-1	D06LKH	Gly-Arg-Gly-Asp-Ser	Investigative	123811	C17H30N8O9	490.5	C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN)CN=C(N)N	IC50 > 1000000 nM	Non binder