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	B01PHJ	2-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-(3-oxo-3-phenylmethoxypropyl)phenoxy]acetic acid	Investigative	90667327	C35H35N3O7	609.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)CCC(=O)OCC4=CC=CC=C4)OCC(=O)O	IC50 = 81300 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B15FNE	3-[2-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid	Investigative	90667318	C31H32F3N3O7	615.6	CC(C)(C)OC(=O)COC1=C(C=C(C=C1)NC(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)CCC(=O)O	IC50 = 151400 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B1MDR8	(2S)-3-[[2-[(5R)-3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoic acid;methanesulfonic acid	Investigative	9851401	C21H28N6O10S2	588.6	CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](CNC(=O)C[C@H]2CC(=NO2)C3=CC=C(C=C3)C(=N)N)C(=O)O.CS(=O)(=O)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B1XLE3	22-Amino-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isobutyl-13-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricosane-4-carboxylic acid amide	Investigative	44343326	C28H51N11O9S2	749.9	C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C)[C@@H](C)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B2IOH5	2-[2-(3-Oxo-3-phenylmethoxypropyl)-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid	Investigative	90667326	C34H30F3N3O7	649.6	C1=CC=C(C=C1)COC(=O)CCC2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F)OCC(=O)O	IC50 = 64600 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B31EXW	(Z)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-benzyloxy-phenyl)-acrylic acid	Investigative	44379874	C22H22N2O5S	426.5	CC(=O)N1CSC[C@H]1C(=O)N/C(=C\\C2=CC=C(C=C2)OCC3=CC=CC=C3)/C(=O)O	IC50 = 71000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B3GQ9R	N-(12-Aminododecyl)-2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid	Investigative	57402939	C31H45F3N4O4	594.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NCCCCCCCCCCCCN.C(=O)(C(F)(F)F)O	IC50 = 151400 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B3NLH8	[4-[[2-(Carboxymethyl)-4-oxoazetidine-1-carbonyl]amino]phenyl]methylazanium;2,2,2-trifluoroacetate	Investigative	90645090; 145948473	C15H16F3N3O6	391.3	C1C(N(C1=O)C(=O)NC2=CC=C(C=C2)C[NH3+])CC(=O)O.C(=O)(C(F)(F)F)[O-]	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B4LIS8	(S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methyl-pentanoylamino}-3-carboxy-propionylamino)-3-methyl-butyric acid	Investigative	10578470	C24H36N4O8	508.6	CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N	IC50 = 51000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B4R0IC	(4R,7S,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-10-methyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid	Investigative	10627454	C27H33N5O7S2	603.7	C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)O)CC3=CC=CC=C3	IC50 = 182000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B53DLT	2-[(3S,6R,11R,14S)-6-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-11-carbamoyl-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecan-3-yl]acetic acid	Investigative	10769712	C21H35N9O7S2	589.7	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](CCCN=C(N)N)N)C(=O)N	IC50 = 50000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B5IS3P	(3S,6R,11R,14S)-6-[[(2S)-2-Amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoyl]amino]-3-(hydroxymethyl)-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	10841837	C23H27F4N5O8S2	641.6	C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CO)NC(=O)[C@H](CC3=C(C(=C(C(=C3F)F)O)F)F)N)C(=O)O	IC50 = 60000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B5MWU3	[22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-16-hydroxymethyl-7-isobutyl-10-methyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricos-13-yl]-acetic acid	Investigative	44343677	C28H49N11O10S2	763.9	C[C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C	IC50 = 60000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B5YWI0	(4R,7S,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-cyclohexyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid	Investigative	44341894	C23H32N4O6S2	524.7	C1CCC(CC1)[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C(=O)O	IC50 = 115000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B6INA4	(2S)-2-[(2,6-Dichlorobenzoyl)amino]-4-[(3S)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid	Investigative	76332374	C31H31Cl2N5O6	640.5	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CNC(=O)[C@H]3CCN(C3)C(=O)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl	Ki ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B6KJI5	(E)-2-[(3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-acrylic acid	Investigative	44379967	C22H20Cl2N2O5S	495.4	CC(=O)N1CSCC1C(=O)N/C(=C/C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)/C(=O)O	IC50 = 83000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B6QJH0	(3S,6R,11R,14S)-3-(Hydroxymethyl)-2,5,13-trioxo-6-(piperidine-4-carbonylamino)-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	10601975	C20H31N5O7S2	517.6	C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CO)NC(=O)C3CCNCC3)C(=O)O	IC50 = 50000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B76ZWA	(2S)-2-[[2-(Diethylamino)-5-[methylsulfonyl(pyridin-2-yl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid	Investigative	71728107	C28H35N7O6S	597.7	CCN(CC)C1=NC=C(C(=N1)N[C@@H](CC2=CC=C(C=C2)OC(=O)N3CCCC3)C(=O)O)N(C4=CC=CC=N4)S(=O)(=O)C	IC50 = 61681.2 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B79AJK	(S)-2-{(S)-2-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid	Investigative	10838937	C21H38N4O7	458.5	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)O)N	IC50 = 66000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B79TSX	(3S,6R,11R,14S)-6-[[(2S)-2-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	10769729	C21H34N8O8S2	590.7	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](CCCN=C(N)N)N)C(=O)O	IC50 = 80000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B8HG6Z	(3S,6R,11R,14S)-6-[[(2S)-2-[[(2S)-2-Amino-3-(1H-indol-3-yl)propanoyl]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	10533241	C32H44N10O9S2	776.9	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](CCCN=C(N)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)N)C(=O)O	IC50 = 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B8HW2F	(S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-propionic acid ethyl ester	Investigative	44331361	C34H42N4O7	618.7	CCOC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CN(CCCOC)C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C	IC50 = 75000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B8J0YW	3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-pyridin-3-yl-propionic acid	Investigative	9828979	C22H21N5O3S	435.5	C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)SC(CC(=O)O)C3=CN=CC=C3	EC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B95FNK	3-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-hydroxyphenyl]propanoic acid	Investigative	90667314	C26H27N3O5	461.5	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)O)CCC(=O)O	IC50 = 138000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B96HLS	(3S)-3-[[(3S)-1-[2-[4-[(2-Methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-3-carbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid	Investigative	76310621	C32H34N4O7	586.6	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CC[C@@H](C3)C(=O)N[C@@H](CC(=O)O)C(=O)OCC4=CC=CC=C4	Ki ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	B9WNF6	5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[12-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]dodecyl]pentanamide	Investigative	57402941	C39H58N6O4S	707	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4	IC50 = 97700 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BB3XW4	3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(3-phenylacetylamino-phenyl)-propionic acid	Investigative	44392102	C30H24Cl2N2O4	547.4	C1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BC4F1P	[22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isopropyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricos-13-yl]-acetic acid	Investigative	44343603	C28H49N11O11S2	779.9	C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CO)CCCN=C(N)N)N)C(=O)N)C(C)C)O	IC50 = 59000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BC4R6Z	(7R,12R)-7-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,14-dioxo-5,6,7,8,11,12,13,14-octahydro-9,10-dithia-5,13-diaza-benzocyclododecene-12-carboxylic acid	Investigative	10601612	C22H24N4O6S2	504.6	C1[C@@H](C(=O)NC2=CC=CC=C2C(=O)N[C@@H](CSS1)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N	IC50 = 80000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BC85IN	3-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid	Investigative	57401287	C32H37N3O7	575.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)OC(C)(C)C)CCC(=O)O	IC50 = 68400 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BD3K7N	2-[(4S,7R,10S,13S,16S,19R,22S)-22-Amino-4-carbamoyl-19-[3-(diaminomethylideneamino)propyl]-10-[(1S)-1-hydroxyethyl]-16-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-13-yl]acetic acid	Investigative	56671702	C29H51N11O11S2	793.9	C[C@@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BE7MF1	3-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-hydroxyphenyl]propanoic acid	Investigative	90667325	C26H27N3O5	461.5	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)CCC(=O)O)O	IC50 = 146200 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BGY4L1	3-[2-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]-4-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid	Investigative	90667328	C31H32F3N3O7	615.6	CC(C)(C)OC(=O)COC1=C(C=CC(=C1)NC(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)CCC(=O)O	IC50 = 79400 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BHZ32J	3-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid	Investigative	90667329	C32H37N3O7	575.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)CCC(=O)O)OCC(=O)OC(C)(C)C	IC50 = 190100 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BIE6U8	(3S,6R,11R,14S)-6-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]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	10605027	C30H43N9O9S2	737.9	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](CCCN=C(N)N)NC(=O)[C@H](CC3=CC=CC=C3)N)C(=O)O	IC50 = 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BILH18	(3S,6R,11R,14S)-3-(Hydroxymethyl)-6-[[4-(4-hydroxyphenyl)benzoyl]amino]-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	11801761	C27H30N4O8S2	602.7	C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CO)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)O)C(=O)O	IC50 = 120000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BJUH80	22-Amino-13-(2-carbamoyl-ethyl)-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricosane-4-carboxylic acid amide	Investigative	44343621	C30H54N12O10S2	807	C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCC(=O)N)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BK3CD6	2-(5-Chloro-pyridin-2-ylamino)-3-{4-[(3,5-dichloro-pyridine-4-carbonyl)-amino]-phenyl}-propionic acid	Investigative	44287661	C20H15Cl3N4O3	465.7	C1=CC(=CC=C1CC(C(=O)O)NC2=NC=C(C=C2)Cl)NC(=O)C3=C(C=NC=C3Cl)Cl	IC50 = 53000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BLD52Y	(S)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-methoxy-phenyl)-propionic acid	Investigative	44385829	C16H20N2O5S	352.4	CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OC)C(=O)O	IC50 = 76570 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BM40CG	(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyric acid	Investigative	9851886	C31H41N5O8	611.7	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=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)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BM6IQ4	2-[2-[3-[2-[2-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid;2,2,2-trifluoroacetic acid	Investigative	57396073	C42H56F3N5O13	895.9	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)O)CCC(=O)NCCOCCOCCOCCOCCOCCN.C(=O)(C(F)(F)F)O	IC50 = 169800 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BM9I6F	(3S)-3-[(2,6-Dichlorobenzoyl)amino]-4-[(3S)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid	Investigative	76336006	C31H31Cl2N5O6	640.5	CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CNC(=O)[C@H]3CCN(C3)C(=O)[C@H](CC(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BMO5I1	2-{3-[(Cyclohex-3-enecarbonyl)-amino]-phenyl}-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid	Investigative	44392139	C29H28Cl2N2O4	539.4	C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BN0M6E	2-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[3-oxo-3-(2-phenylethylamino)propyl]phenoxy]acetic acid	Investigative	90667321	C36H38N4O6	622.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)O)CCC(=O)NCCC4=CC=CC=C4	IC50 = 105900 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BOE7H8	3-[[2-[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid;2,2,2-trifluoroacetic acid	Investigative	44359644	C17H19F3N4O6	432.4	C1C(ON=C1C2=CC=C(C=C2)C(=N)N)CC(=O)NCCC(=O)O.C(=O)(C(F)(F)F)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BQ95RV	2-[(2S,5S)-5-Benzyl-7-butyl-3,6-dioxo-1,4,7-thiadiazonan-2-yl]acetic acid	Investigative	44313545	C19H26N2O4S	378.5	CCCCN1CCS[C@H](C(=O)N[C@H](C1=O)CC2=CC=CC=C2)CC(=O)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BRWZ37	(3S,6R,11R,14S)-6-[[(2R)-2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(hydroxymethyl)-2,5,13-trioxo-8,9-dithia-1,4,12-triazabicyclo[12.3.0]heptadecane-11-carboxylic acid	Investigative	10793147	C23H31N5O8S2	569.7	C1C[C@H]2C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2C1)CO)NC(=O)[C@@H](CC3=CC=C(C=C3)O)N)C(=O)O	IC50 = 126000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BRZV59	2-[(4S,7R,10S,13R,16R,19R,22S)-22-Amino-4-carbamoyl-19-[3-(diaminomethylideneamino)propyl]-10-[(1S)-1-hydroxyethyl]-16-(hydroxymethyl)-7-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-13-yl]acetic acid	Investigative	56678432	C29H51N11O11S2	793.9	C[C@@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BU2LZ6	(3R)-3-[[(3R)-3-[4-[3-(2-Methylphenyl)ureido]phenylacetylamino]-5-methylhexanoyl]amino]-4-hexenoic acid	Investigative	44331388	C29H38N4O5	522.6	C/C=C/[C@@H](CC(=O)O)NC(=O)C[C@@H](CC(C)C)NC(=O)CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C	IC50 = 103000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BVN03P	Benzyl 3-[5-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate	Investigative	90667315	C39H43N3O7	665.8	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)OC(C)(C)C)CCC(=O)OCC4=CC=CC=C4	IC50 = 102300 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BWG2K5	2-[2-[3-(Benzylamino)-3-oxopropyl]-4-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid	Investigative	90667320	C35H36N4O6	608.7	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)O)CCC(=O)NCC4=CC=CC=C4	IC50 = 97700 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BWH53N	[4-[[2-[2-(Carboxymethylamino)-2-oxoethyl]-4-oxoazetidine-1-carbonyl]amino]phenyl]methylazanium;2,2,2-trifluoroacetate	Investigative	90645092; 145948474	C17H19F3N4O7	448.4	C1C(N(C1=O)C(=O)NC2=CC=C(C=C2)C[NH3+])CC(=O)NCC(=O)O.C(=O)(C(F)(F)F)[O-]	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BX50YN	22-Amino-13-carbamoylmethyl-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricosane-4-carboxylic acid amide	Investigative	44343657	C29H52N12O10S2	792.9	C[C@H]([C@H]1C(=O)N[C@@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)N)CO)CCCN=C(N)N)N)C(=O)N)CC(C)C)O	IC50 = 88000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BY6F4M	[22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-16-hydroxymethyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricos-13-yl]-acetic acid	Investigative	44343602	C25H43N11O11S2	737.8	C[C@H]([C@H]1C(=O)NCC(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(=O)O)CO)CCCN=C(N)N)N)C(=O)N)O	IC50 ~ 100000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BYB19L	2-[2-[3-(12-Aminododecylamino)-3-oxopropyl]-4-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid;2,2,2-trifluoroacetic acid	Investigative	57397873	C42H56F3N5O8	815.9	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)O)CCC(=O)NCCCCCCCCCCCCN.C(=O)(C(F)(F)F)O	IC50 = 123000 nM	Poor binder
T86130	Integrin alpha-4/beta-1	BYW0F3	3-[2-(Carboxymethoxy)-5-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid	Investigative	90667319	C28H29N3O7	519.5	CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)CC(=O)NC3=CC(=C(C=C3)OCC(=O)O)CCC(=O)O	IC50 = 81300 nM	Poor binder