Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T07403 | Target Info | |||
| Target Name | Integrin alpha-4/beta-7 (ITGA4/B7) | ||||
| Synonyms |
alpha(4)beta(7) integrin; Alpha 4 beta 7 integrin
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|
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| Target Type | Successful Target | ||||
| Gene Name | ITGA4-ITGB7 | ||||
| Biochemical Class | Integrin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 20 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(S)-2-(2-Methoxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL36974; BDBM50090116; N-(2-Methoxybenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
(S)-2-(3-Hydroxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL287287; BDBM50090115; N-(3-Hydroxybenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 54000 nM
|
[1] | |||
| Compound Name |
(S)-2-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-succinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL173552; BDBM50074668; N-[4-[3-(2-Methylphenyl)ureido]phenylacetyl]-L-Leu-L-Asp-OH
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| Activity |
IC50 = 59000 nM
|
[2] | |||
| Compound Name |
(S)-2-(2-Hydroxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL35143; BDBM50090107; N-(2-Hydroxybenzyl)-L-phenylalanine tert-butyl ester
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| Activity |
IC50 = 60000 nM
|
[1] | |||
| Compound Name |
(S)-2-(2-Hydroxy-5-nitro-benzylamino)-3-phenyl-propionic acid 3-methyl-but-3-enyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38102; BDBM50090118
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|
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| Activity |
IC50 = 82000 nM
|
[1] | |||
| Compound Name |
(S)-2-(4-Hydroxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL36487; BDBM50090110; N-(4-Hydroxybenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 85000 nM
|
[1] | |||
| 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
|
[3] | |||
| Compound Name |
(S)-2-Benzylamino-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL35996; BDBM50090111; N-Benzyl-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
(S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL316723; BDBM50106086
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-3-phenyl-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL100519; BDBM50106082
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| 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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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| 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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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-hex-4-enoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL97944; BDBM50106085; (3S)-3-[N-(3-Methoxypropyl)-N-[4-[3-(2-methylphenyl)ureido]phenylacetyl]glycylamino]-4-hexenoic acid
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
(S)-2-(2-Fluoro-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL284318; BDBM50090106; N-(2-Fluorobenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 117000 nM
|
[1] | |||
| Compound Name |
(S)-2-(4-Fluoro-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL433037; BDBM50090109; N-(4-Fluorobenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 121000 nM
|
[1] | |||
| Compound Name |
(S)-2-(4-Methoxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL37060; BDBM50090114; N-(4-Methoxybenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 122000 nM
|
[1] | |||
| Compound Name |
(S)-2-(3-Methoxy-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL36105; BDBM50090120; N-(3-Methoxybenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 122000 nM
|
[1] | |||
| Compound Name |
2-[(3R,6S,9R,12S,15R,18R)-15-Benzyl-3-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL329638; BDBM50102552
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|
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| Activity |
IC50 = 163000 nM
|
[5] | |||
| 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 = 175000 nM
|
[3] | |||
| Compound Name |
(S)-2-(3-Fluoro-benzylamino)-3-phenyl-propionic acid tert-butyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL34351; BDBM50090112; N-(3-Fluorobenzyl)-L-phenylalanine tert-butyl ester
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|
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| Activity |
IC50 = 176000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-[(3R,6S,9R,12S,15R,18R)-15-Benzyl-6-[(1R)-1-hydroxyethyl]-3-methyl-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL431987; BDBM50102551
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|
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| Activity |
IC50 = 292000 nM
|
[5] | |||
| Compound Name |
2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-(1H-imidazol-5-ylmethyl)-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL316400; BDBM50102548
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|
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| Activity |
IC50 = 301000 nM
|
[5] | |||
| Compound Name |
2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-12-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL313106; BDBM50102550
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|
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| Activity |
IC50 = 308000 nM
|
[5] | |||
| Compound Name |
2-[(3R,6S,9R,12S,15R,18R)-3-(Carboxymethyl)-6-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-15-(2-methylsulfanylethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-9-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL406532; BDBM50102549
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|
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| Activity |
IC50 = 317000 nM
|
[5] | |||
| Compound Name |
N-(1-Carbamoyl-2-hydroxy-propyl)-3-{2-[(isoquinoline-3-carbonyl)-amino]-4-methyl-pentanoylamino}-succinamic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL409117; BDBM50070619
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|
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| Activity |
IC50 = 465000 nM
|
[5] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cell adhesion antagonists: synthesis and evaluation of a novel series of phenylalanine based inhibitors. Bioorg Med Chem Lett. 2000 Jul 17;10(14):1497-9. | ||||
| 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 | Selective alpha4beta7 integrin antagonists and their potential as antiinflammatory agents. J Med Chem. 2002 Aug 1;45(16):3451-7. | ||||
| REF 4 | Design and synthesis of potent and selective inhibitors of integrin VLA-4. Bioorg Med Chem Lett. 2001 Nov 19;11(22):2955-8. | ||||
| REF 5 | Design and synthesis of potent and selective alpha(4)beta(7) integrin antagonists. J Med Chem. 2001 Aug 2;44(16):2586-92. | ||||
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