Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86130 | Target Info | |||
| Target Name | Integrin alpha-4/beta-1 (ITGA4/B1) | ||||
| Synonyms |
alpha(4)beta(1) integrin; Alpha 4 beta 1 integrin
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | ITGA4-ITGB1 | ||||
| Biochemical Class | Integrin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 56 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL331602; BDBM50060201
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL323250; BDBM50060191
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
(S)-2-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methyl-pentanoylamino}-3-carboxy-propionylamino)-3-methyl-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL173870; L-Tyr-L-Leu-L-Asp-Val-OH; BDBM50074662
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| Activity |
IC50 = 51000 nM
|
[2] | |||
| Compound Name |
2-(5-Chloro-pyridin-2-ylamino)-3-{4-[(3,5-dichloro-pyridine-4-carbonyl)-amino]-phenyl}-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL39721; SCHEMBL5365885; BDBM50114312
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|
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| Activity |
IC50 = 53000 nM
|
[3] | |||
| Compound Name |
[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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL326055; BDBM50116496
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|
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| Activity |
IC50 = 59000 nM
|
[4] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL325904; BDBM50060195
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|
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| Activity |
IC50 = 60000 nM
|
[1] | |||
| Compound Name |
[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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL117226; BDBM50116493
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| Activity |
IC50 = 60000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[2-(Diethylamino)-5-[methylsulfonyl(pyridin-2-yl)amino]pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2407887; BDBM50437639
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| Activity |
IC50 = 61681.2 nM
|
[5] | |||
| Compound Name |
2-[2-(3-Oxo-3-phenylmethoxypropyl)-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220779
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|
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| Activity |
IC50 = 64600 nM
|
[6] | |||
| Compound Name |
(S)-2-{(S)-2-[(S)-2-((2S,3S)-2-Amino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL172193; BDBM50074670
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|
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| Activity |
IC50 = 66000 nM
|
[2] | |||
| Compound Name |
3-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934636; BDBM50423842
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|
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| Activity |
IC50 = 68400 nM
|
[6] | |||
| Compound Name |
(Z)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-benzyloxy-phenyl)-acrylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL354719; BDBM50124105; alpha-[[(4R)-3-Acetylthiazolidine-4alpha-yl]carbonylamino]-4-(benzyloxy)-trans-cinnamic acid
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| Activity |
IC50 = 71000 nM
|
[7] | |||
| Compound Name |
(S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-propionic acid ethyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL266380; BDBM50106089
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|
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| Activity |
IC50 = 75000 nM
|
[8] | |||
| Compound Name |
(S)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-methoxy-phenyl)-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL366857; BDBM50089015; N-[[(4R)-3-Acetyl-4-thiazolidinyl]carbonyl]-O-methyl-L-tyrosine
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|
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| Activity |
IC50 = 76570 nM
|
[9] | |||
| Compound Name |
3-[2-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]-4-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220781
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|
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| Activity |
IC50 = 79400 nM
|
[6] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL113100; BDBM50060176
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|
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| Activity |
IC50 = 80000 nM
|
[1] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL115715; BDBM50060212
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|
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| Activity |
IC50 = 80000 nM
|
[1] | |||
| Compound Name |
2-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-(3-oxo-3-phenylmethoxypropyl)phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220780
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|
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| Activity |
IC50 = 81300 nM
|
[6] | |||
| Compound Name |
3-[2-(Carboxymethoxy)-5-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220772
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|
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| Activity |
IC50 = 81300 nM
|
[6] | |||
| Compound Name |
(E)-2-[(3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-acrylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL169095; BDBM50124118
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|
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| Activity |
IC50 = 83000 nM
|
[7] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL334243; BDBM50116478
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|
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| Activity |
IC50 = 88000 nM
|
[4] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934744; BDBM50423839
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|
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| Activity |
IC50 = 97700 nM
|
[10] | |||
| Compound Name |
2-[2-[3-(Benzylamino)-3-oxopropyl]-4-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]phenoxy]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220773
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|
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| Activity |
IC50 = 97700 nM
|
[6] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL275611
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|
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| Activity |
IC50 ~ 100000 nM
|
[11] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL116664; BDBM50116475
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[4-[[2-(Carboxymethyl)-4-oxoazetidine-1-carbonyl]amino]phenyl]methylazanium;2,2,2-trifluoroacetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289604; BDBM50021393
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|
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
(2S)-2-[(2,6-Dichlorobenzoyl)amino]-4-[(3S)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3115404; BDBM50447506
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|
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| Activity |
Ki ~ 100000 nM
|
[13] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL325366; BDBM50060208
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|
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-pyridin-3-yl-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL350668; SCHEMBL2835962; SCHEMBL13024514; BDBM50139204; beta-[4-(3-Guanidinobenzoylamino)phenylthio]pyridine-3-propionic acid; 3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid
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| Activity |
EC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
(3S)-3-[[(3S)-1-[2-[4-[(2-Methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-3-carbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3115408; BDBM50447510
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|
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| Activity |
Ki ~ 100000 nM
|
[13] | |||
| Compound Name |
3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(3-phenylacetylamino-phenyl)-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL182382; BDBM50157472
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|
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790852; BDBM50370136
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL324283; BDBM50060177
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|
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL325001; BDBM50116500
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL369635; BDBM50074659; N-[4-[3-(2-Methylphenyl)ureido]phenylacetyl]-L-Leu-L-Asp-Val-OH
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[(2,6-Dichlorobenzoyl)amino]-4-[(3S)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methylcarbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3115405; BDBM50447507
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|
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| Activity |
IC50 ~ 100000 nM
|
[13] | |||
| Compound Name |
2-{3-[(Cyclohex-3-enecarbonyl)-amino]-phenyl}-3-[4-(2,6-dichloro-benzoylamino)-phenyl]-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL182605; BDBM50157451
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| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
3-[[2-[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL141632
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|
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| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
2-[(2S,5S)-5-Benzyl-7-butyl-3,6-dioxo-1,4,7-thiadiazonan-2-yl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75405; BDBM50450676
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|
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1790854; BDBM50370137
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
[4-[[2-[2-(Carboxymethylamino)-2-oxoethyl]-4-oxoazetidine-1-carbonyl]amino]phenyl]methylazanium;2,2,2-trifluoroacetate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3289605; BDBM50021394
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|
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| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
[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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL117072; BDBM50116491
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Benzyl 3-[5-[[2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220768
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|
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| Activity |
IC50 = 102300 nM
|
[6] | |||
| Compound Name |
(3R)-3-[[(3R)-3-[4-[3-(2-Methylphenyl)ureido]phenylacetylamino]-5-methylhexanoyl]amino]-4-hexenoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100242; BDBM50106103
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|
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| Activity |
IC50 = 103000 nM
|
[8] | |||
| Compound Name |
2-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[3-oxo-3-(2-phenylethylamino)propyl]phenoxy]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220774
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|
||||
| Activity |
IC50 = 105900 nM
|
[6] | |||
| Compound Name |
(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
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL324811; BDBM50060237
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|
||||
| Activity |
IC50 = 115000 nM
|
[1] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL114391; BDBM50060182
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|
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| Activity |
IC50 = 120000 nM
|
[1] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934637
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|
||||
| Activity |
IC50 = 123000 nM
|
[10] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL115881; BDBM50060223
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|
||||
| Activity |
IC50 = 126000 nM
|
[1] | |||
| Compound Name |
3-[5-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-hydroxyphenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220767
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|
||||
| Activity |
IC50 = 138000 nM
|
[6] | |||
| Compound Name |
3-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-hydroxyphenyl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220778
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| Activity |
IC50 = 146200 nM
|
[6] | |||
| Compound Name |
3-[2-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220771
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| Activity |
IC50 = 151400 nM
|
[6] | |||
| Compound Name |
N-(12-Aminododecyl)-2-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]acetamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934743
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| Activity |
IC50 = 151400 nM
|
[10] | |||
| Compound Name |
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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934638
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| Activity |
IC50 = 169800 nM
|
[10] | |||
| Compound Name |
(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
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL114486; BDBM50060186
Click to Show/Hide
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| Activity |
IC50 = 182000 nM
|
[1] | |||
| Compound Name |
3-[4-[[2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220782
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| Activity |
IC50 = 190100 nM
|
[6] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 19 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Gly-Arg-Gly-Asp-Ser
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Gly-arg-gly-asp-ser; 96426-21-0; GRGDS; glycyl-arginyl-glycyl-aspartyl-serine; H-Gly-Arg-Gly-Asp-Ser-OH; CHEMBL417553; L-Serine, N-(N-(N-(N2-glycyl-L-arginyl)glycyl)-L-alpha-aspartyl)-; GRGDS Peptide; C17H30N8O9; AC1L3XCA; NH2-Gly-Arg-Gly-Asp-Ser; SCHEMBL17440322; RGNVSYKVCGAEHK-GUBZILKMSA-N; HY-P0295; ZINC13455558; MFCD00076459; BDBM50414896; BDBM50006330; AKOS030622941; NCGC00167212-01; Gly-Arg-Gly-Asp-Ser, > LS-178299; FT-0772116; L-Serine,glycyl-L-arginylglycyl-L-a-aspartyl-
Click to Show/Hide
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| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-[(2S,5S)-5-Benzyl-7-(3-methylbutyl)-3,6-dioxo-1,4,7-thiadiazonan-2-yl]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73900
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| Activity |
IC50 ~ 100000 nM
|
[17] | |||
| Compound Name |
3-[2-Hydroxy-5-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220766
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||||
| Activity |
IC50 = 208900 nM
|
[6] | |||
| Compound Name |
(4R,11R)-11-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,10-dioxo-1,2-dithia-5,9-diaza-cyclododecane-4-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112321; BDBM50060178
Click to Show/Hide
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||||
| Activity |
IC50 = 210000 nM
|
[1] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112936; BDBM50060224
Click to Show/Hide
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| Activity |
IC50 = 210000 nM
|
[1] | |||
| Compound Name |
[Benzyl[(3S)-3-[4-[3-(2-methylphenyl)ureido]phenylacetylamino]-5-methylhexanoyl]amino]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL98701; BDBM50106100; [Benzyl-((S)-5-methyl-3-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-hexanoyl)-amino]-acetic acid
Click to Show/Hide
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| Activity |
IC50 = 247000 nM
|
[8] | |||
| Compound Name |
(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
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL324503; BDBM50060200
Click to Show/Hide
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| Activity |
IC50 = 250000 nM
|
[1] | |||
| Compound Name |
(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
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL112704; BDBM50060214
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| Activity |
IC50 = 250000 nM
|
[1] | |||
| Compound Name |
(4R,10R)-10-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL323810; BDBM50060188
Click to Show/Hide
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| Activity |
IC50 = 250000 nM
|
[1] | |||
| Compound Name |
(S)-3-((R)-5-Methyl-3-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-hexanoylamino)-3-phenyl-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL101955; BDBM50106092
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| Activity |
IC50 = 262000 nM
|
[8] | |||
| Compound Name |
(S)-2-[((R)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL172954; BDBM50089011; N-[[(4R)-3-Acetyl-4-thiazolidinyl]carbonyl]-L-tyrosine
Click to Show/Hide
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| Activity |
IC50 = 263000 nM
|
[9] | |||
| Compound Name |
(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
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL431870; BDBM50060218
Click to Show/Hide
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||||
| Activity |
IC50 = 350000 nM
|
[1] | |||
| Compound Name |
3-[2-Hydroxy-4-[[2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220777
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[6] | |||
| Compound Name |
Lithium;2-[[benzyl-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]carbamoyl]amino]-3-methylbutanoate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL100886
Click to Show/Hide
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| Activity |
IC50 > 500000 nM
|
[8] | |||
| Compound Name |
(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
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3220764
Click to Show/Hide
|
||||
| Activity |
IC50 = 703000 nM
|
[6] | |||
| Compound Name |
2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adamantane-1-carbonyl)-amino]-2-methoxycarbonyl-ethyldisulfanyl}-propionic acid methyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL435722; BDBM50088994; N,N'-Bis(1-adamantylcarbonyl)-L-cystine dimethyl ester
Click to Show/Hide
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| Activity |
IC50 > 800000 nM
|
[18] | |||
| Compound Name |
Fibronectin CS1 Peptide
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|
Investigative | Compound Info | ||
| Synonyms |
Fibronectin cs-1 peptide; Fibronectin CS-1 Fragment (1978-1985); Glu-Ile-Leu-Asp-Val-Pro-Ser-Thr; SCHEMBL8937022; CHEMBL3220763; HY-P1816; ZINC169329498; NCGC00167252-01; CS-0096031
Click to Show/Hide
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| Activity |
IC50 = 824000 nM
|
[6] | |||
| Compound Name |
[4-({[2-(Trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL5149988; CHEMBL3220765; STK463151; ZINC17070967; AKOS003347135; MCULE-8100337750; ST50857318; 4-[N'-(2-trifluoromethylphenyl)ureido]phenylacetic acid; 2-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid; 2-[4-({N-[2-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-[4-[(2,6-Dimethylphenyl)carbamoylamino]phenyl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1934742; BDBM50423846
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[6] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Potent alpha 4 beta 1 peptide antagonists as potential anti-inflammatory agents. J Med Chem. 1997 Oct 10;40(21):3359-68. | ||||
| REF 2 | Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses. J Med Chem. 1999 Mar 11;42(5):920-34. | ||||
| REF 3 | N-(pyrimidin-4-yl) and N-(pyridin-2-yl) phenylalanine derivatives as VLA-4 integrin antagonists. Bioorg Med Chem Lett. 2002 Jun 17;12(12):1595-8. | ||||
| REF 4 | Selective alpha4beta7 integrin antagonists and their potential as antiinflammatory agents. J Med Chem. 2002 Aug 1;45(16):3451-7. | ||||
| REF 5 | Orally available and efficacious alpha41/alpha47 integrin inhibitors. Bioorg Med Chem Lett. 2013 Aug 1;23(15):4370-3. | ||||
| REF 6 | Diaryl urea LDV peptidomimetics as alpha4beta1 integrin antagonists: synthesis, adhesion inhibition and toxicity evaluation on CCRF-CEM cell line. Medchemcomm. 2012;3:199-212. | ||||
| REF 7 | Dehydrophenylalanine derivatives as VLA-4 integrin antagonists. Bioorg Med Chem Lett. 2003 Mar 10;13(5):805-8. | ||||
| REF 8 | Design and synthesis of potent and selective inhibitors of integrin VLA-4. Bioorg Med Chem Lett. 2001 Nov 19;11(22):2955-8. | ||||
| REF 9 | Discovery and evaluation of potent, tyrosine-based alpha4beta1 integrin antagonists. Bioorg Med Chem Lett. 2000 May 1;10(9):997-9. | ||||
| REF 10 | LDV peptidomimetics equipped with biotinylated spacer-arms: synthesis and biological evaluation on CCRF-CEM cell line. Bioorg Med Chem Lett. 2012 Jan 1;22(1):586-90. | ||||
| REF 11 | Orally active isoxazoline glycoprotein IIb/IIIa antagonists with extended duration of action. J Med Chem. 1999 Apr 8;42(7):1178-92. | ||||
| REF 12 | Targeting integrins alphav3 and alpha51 with new -lactam derivatives. Eur J Med Chem. 2014 Aug 18;83:284-93. | ||||
| REF 13 | Synthesis and assay of retro-alpha41 integrin-targeting motifs. Eur J Med Chem. 2014 Feb 12;73:225-32. | ||||
| REF 14 | Solid-phase synthesis of a small library of 3-phenylthio-3-nicotinyl propionic acid derivatives acting as antagonists of the integrin alphaVbeta3. Bioorg Med Chem Lett. 2004 Feb 9;14(3):657-61. | ||||
| REF 15 | 2,3-Diphenylpropionic acids as potent VLA-4 antagonists. Bioorg Med Chem Lett. 2005 Jan 3;15(1):217-20. | ||||
| REF 16 | Discovery of potent isoxazoline glycoprotein IIb/IIIa receptor antagonists. J Med Chem. 1997 Jan 3;40(1):50-60. | ||||
| REF 17 | Novel inhibitors of alpha 4 beta 1 integrin receptor interactions through library synthesis and screening. Bioorg Med Chem Lett. 1998 Sep 8;8(17):2297-302. | ||||
| REF 18 | Discovery and evaluation of potent, cysteine-based alpha4beta1 integrin antagonists. Bioorg Med Chem Lett. 2000 May 1;10(9):993-5. | ||||
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