Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92424 | Target Info | |||
| Target Name | Integrin alpha-V/beta-5 (ITGAV/B5) | ||||
| Synonyms |
Integrin; Vitronectin receptor
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| Target Type | Discontinued Target | ||||
| Gene Name | ITGAV-ITGB5 | ||||
| Biochemical Class | Integrin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 4 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-3-[[2-[(3R,5S)-1-(3,3-Dimethylbutanoyl)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL412400; SCHEMBL14453385; BDBM50217432
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3298392; BDBM50023182
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| Activity |
IC50 = 80000 nM
|
[2] | |||
| Compound Name |
(2S)-3-[[2-[(3S,5R)-1-(3,3-Dimethylbutanoyl)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL594166; BDBM50423717
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| Activity |
IC50 = 90700 nM
|
[3] | |||
| Compound Name |
Arginyl-glycyl-aspartyl-phenylalanine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL303561; Rgdf peptide; Arg-gly-asp-phe; DTXSID40149361; N-(N-(N-L-Arginylglycyl)-L-alpha-aspartyl)-L-phenylalanine; BDBM50003851; L-Phenylalanine, N-(N-(N-L-arginylglycyl)-L-alpha-aspartyl)-
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| Activity |
IC50 = 92000 nM
|
[2] | |||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
3-[(3S,6S,12S,15S,21S,24S,30S,36S,39S,42S)-6,15,24-Tris(carboxymethyl)-12,21,30-tris[3-(diaminomethylideneamino)propyl]-36-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazabicyclo[40.3.0]pentatetracontan-39-yl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4068971
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| Activity |
IC50 = 380000 nM
|
[4] | |||
| Compound Name |
3-[(3S,6S,12S,38S,41S,44S)-6-(Carboxymethyl)-12-[3-(diaminomethylideneamino)propyl]-38-[(1R)-1-hydroxyethyl]-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,37,40,43-pentadecaoxo-1,4,7,10,13,16,19,22,25,28,31,34,36,39,42-pentadecazabicyclo[42.3.0]heptatetracontan-41-yl]propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4079738
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| Activity |
IC50 = 522000 nM
|
[4] | |||
| Compound Name |
Arg-Gly-Asp-Arg-Gly-Asp
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL141005; BDBM50054481
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| Activity |
IC50 = 546000 nM
|
[4] | |||
| Compound Name |
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4085518
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| Activity |
IC50 = 1733000 nM
|
[4] | |||
| Compound Name |
(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S,3R)-1-[[2-[[2-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4090048
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| Activity |
IC50 = 2945000 nM
|
[4] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design and synthesis of a new class of selective integrin alpha5beta1 antagonists. J Med Chem. 2007 Aug 9;50(16):3786-94. | ||||
| REF 2 | Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides. J Med Chem. 2014 Jul 10;57(13):5829-34. | ||||
| REF 3 | Discovery of orally available integrin alpha5beta1 antagonists. Bioorg Med Chem Lett. 2010 Jan 1;20(1):380-2. | ||||
| REF 4 | New potent and selective alphav 3 integrin ligands: Macrocyclic peptides containing RGD motif synthesized by sortase A-mediated ligation. Bioorg Med Chem Lett. 2017 May 1;27(9):1911-1913. | ||||
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