Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T66925 | Target Info | |||
| Target Name | Coagulation factor XIIIA (F13A1) | ||||
| Synonyms |
Transglutaminase A chain; Protein-glutamine gamma-glutamyltransferase A chain; F13A; Coagulation factor XIII A chain
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| Target Type | Patented-recorded Target | ||||
| Gene Name | F13A1 | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 16 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Peptide analog 54
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Patented | Compound Info | ||
| Synonyms |
PMID26560530-Compound-43
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| Activity |
IC50 = 67000 nM
|
[1] | |||
| Compound Name |
Ethyl (E,6S)-7-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-7-oxo-6-(phenylmethoxycarbonylamino)hept-2-enoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3092843; SCHEMBL14195480; BDBM50444514
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(2S)-6-(1,3-Diethyl-4,5-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;bromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413700
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
Ethyl (E,6S)-7-[[(2S)-1-[(2S)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-7-oxo-6-(phenylmethoxycarbonylamino)hept-2-enoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3092841; BDBM50444513
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
Tert-butyl 4-[4-[[(E)-2-methylbut-2-enoyl]amino]phenyl]sulfonylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086486; BDBM50420484
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Tert-butyl 2-[[(2S)-2-(phenylmethoxycarbonylamino)-6-(prop-2-enoylamino)hexanoyl]amino]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2203476; BDBM50400619
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| Activity |
IC50 ~ 80000 nM
|
[1] | |||
| Compound Name |
Tert-butyl 4-[4-[[(Z)-but-2-enoyl]amino]phenyl]sulfonylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086484; SCHEMBL1873802; BDBM50420482; 4-(4-(Z)-But-2-enoylamino-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Tert-butyl 4-(4-cyanophenyl)sulfonylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086496; Cerep_003671; SCHEMBL15232086; HMS537H13; BDBM50420494; 4-(4-Cyano-benzenesulfonyl)-piperazine-1-carboxylic acid tert-butyl ester
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| Activity |
IC50 ~ 80000 nM
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[4] | |||
| Compound Name |
(2S)-1-Acetyl-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-6-diazo-1,5-dioxohexan-2-yl]pyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2089385; BDBM50420520
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Benzyl 4-[3-[methyl(2-methylpropyl)amino]-4-(prop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086501; SCHEMBL1871666; BDBM50420499
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Tert-butyl 4-[4-(2-methylprop-2-enoylamino)phenyl]sulfonylpiperazine-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086483; BDBM50420481
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|
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Benzyl 4-[2-(prop-2-enoylamino)pyrimidin-5-yl]sulfonylpiperazine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086543; BDBM50420453
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|
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| Activity |
IC50 ~ 80000 nM
|
[4] | |||
| Compound Name |
Methyl (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(E,2S)-6-methylsulfonyl-2-(phenylmethoxycarbonylamino)hex-5-enoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3092842; SCHEMBL12257339; BDBM50444512
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-Hexyl-2-nitrobenzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
Benzenesulfonamide, N-hexyl-2-nitro-; CHEMBL192376; ACMC-20lr1r; CBDivE_014618; CTK2I9638; DTXSID20385487; N-Hexyl-2-nitro-benzenesulfonamide; hexyl[(2-nitrophenyl)sulfonyl]amine; N-n-Hexyl-2-nitrobenzenesulfonamide; ZINC2479026; BDBM50164220; MFCD00577597; STK036352; AKOS002935813; MCULE-8641957792; ST010984; SR-01000200584; SR-01000200584-1
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
[(5S)-5-Carboxy-2-oxo-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentyl]-dimethylsulfanium;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486977
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| Activity |
IC50 = 105000 nM
|
[3] | |||
| Compound Name |
2-Nitro-N-[6-(3-nitro-pyridin-2-ylamino)-hexyl]-benzenesulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL191254; BDBM50164215
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| Activity |
IC50 = 170000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 9 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S)-5-Oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-(1,4,5-trimethyl-3-propylimidazol-1-ium-2-yl)sulfanylhexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413701
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
[(5S)-5-Carboxy-2-oxo-5-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentyl]-dimethylsulfanium;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL512713
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
(2S)-6-(1,3-Diethyl-4,5-dimethylimidazol-1-ium-2-yl)sulfanyl-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413706
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
(2S)-6-(1-Benzyl-3,4,5-trimethylimidazol-3-ium-2-yl)sulfanyl-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413709
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
(2S)-5-Oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-6-(1,4,5-trimethyl-3-phenylimidazol-1-ium-2-yl)sulfanylhexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413702
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
(2S)-6-(1-Benzyl-3,4,5-trimethylimidazol-3-ium-2-yl)sulfanyl-5-oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413703
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
[(5S)-5-Carboxy-2-oxo-5-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentyl]-diethylsulfanium;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413711
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
(2S)-5-Oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-6-(1,4,5-trimethyl-3-phenylimidazol-1-ium-2-yl)sulfanylhexanoic acid;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2413708
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Compound Name |
[(5S)-5-Carboxy-2-oxo-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentyl]-diethylsulfanium;bromide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL486969
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|
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| Activity |
IC50 > 200000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | SAR Development of Lysine-Based Irreversible Inhibitors of Transglutaminase 2 for Huntington's Disease. ACS Med Chem Lett. 2012 Oct 4;3(12):1024-8. | ||||
| REF 2 | Tissue transglutaminase: an emerging target for therapy and imaging. Bioorg Med Chem Lett. 2013 Dec 15;23(24):6528-43. | ||||
| REF 3 | Imidazolium-based warheads strongly influence activity of water-soluble peptidic transglutaminase inhibitors. Eur J Med Chem. 2013 Aug;66:526-30. | ||||
| REF 4 | Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease. J Med Chem. 2012 Feb 9;55(3):1021-46. | ||||
| REF 5 | 3-Substituted imidazo[1,2-d][1,2,4]-thiadiazoles: a novel class of factor XIIIa inhibitors. J Med Chem. 2005 Apr 7;48(7):2266-9. | ||||
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