Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T81443 | Target Info | |||
| Target Name | Toll-like receptor 4 (TLR4) | ||||
| Synonyms |
TLR-4; HToll; CD284
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| Target Type | Clinical trial Target | ||||
| Gene Name | TLR4 | ||||
| Biochemical Class | Toll-like receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Chembl4163298
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|
Investigative | Compound Info | ||
| Synonyms |
BDBM50408964
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| Activity |
IC50 = 51540 nM
|
[1] | |||
| Compound Name |
Chembl4167187
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Investigative | Compound Info | ||
| Synonyms |
BDBM50408991
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| Activity |
IC50 = 54600 nM
|
[1] | |||
| Compound Name |
Chembl4170576
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Investigative | Compound Info | ||
| Synonyms |
BDBM50408961
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| Activity |
IC50 = 55390 nM
|
[1] | |||
| Compound Name |
2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-dihydroxyphenyl]methylideneamino]guanidine;dihydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL535159
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| Activity |
IC50 = 59100 nM
|
[2] | |||
| Compound Name |
2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-bis(prop-2-enoxy)phenyl]methylideneamino]guanidine;dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL537645
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| Activity |
IC50 = 61400 nM
|
[2] | |||
| Compound Name |
6-[[(2R)-2-(1,3-Benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3087262; BDBM50443420; ZINC49563556
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| Activity |
IC50 = 64100 nM
|
[3] | |||
| Compound Name |
CU-CPT17e
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Investigative | Compound Info | ||
| Synonyms |
CU-CPT-17e; CHEMBL4074408; BCP29395; HY-101929; CS-0022184
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| Activity |
EC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
1-[[1-[(2-Chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1223751; SCHEMBL1462506; SCHEMBL10310595; BDBM50351547
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| Activity |
IC50 = 110500 nM
|
[5] | |||
| Compound Name |
N,N-(p-Xylylidene)bisaminoguanidine dihydrochloride
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Investigative | Compound Info | ||
| Synonyms |
1,1'-(p-Phenylenebis(methylidynenitrilo))diguanidine dihydrochloride; CHEMBL534939; N'',N'''''-(1,4-phenylenedimethylylidene)dicarbonohydrazonic diamide dihydrochloride; NSC 66832; N,N'-(p-xylylidene)bis(aminoguanidine) dihydrochloride; Guanidine, 1,1'-(p-phenylenebis(methylidynenitrilo))di-, dihydrochloride; Hydrazinecarboximidamide, 2,2'-(1,4-phenylenedimethylidyne)bis-, dihydrochloride (9CI); 2-[4-({[amino(imino)methyl]hydrazono}methyl)benzylidene]hydrazinecarboximidamide dihydrochloride
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| Activity |
IC50 = 164000 nM
|
[2] | |||
| Compound Name |
2-[Methyl({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)amino]-N-[4-(morpholin-4-yl)phenyl]acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3087261; ZINC3415865; BDBM50443419; AKOS034354871; MCULE-5226282578; Z44566636
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| Activity |
IC50 = 167500 nM
|
[3] | |||
| Compound Name |
2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-dimethoxyphenyl]methylideneamino]guanidine;dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL534490
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| Activity |
IC50 = 175000 nM
|
[2] | |||
| Compound Name |
2-[(E)-[4-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-2,3-di(tetradecoxy)phenyl]methylideneamino]guanidine;dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL540367
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| Activity |
IC50 = 190000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of novel small molecule TLR4 inhibitors as potent anti-inflammatory agents. Eur J Med Chem. 2018 Jun 25;154:253-266. | ||||
| REF 2 | Novel endotoxin-sequestering compounds with terephthalaldehyde-bis-guanylhydrazone scaffolds. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1305-8. | ||||
| REF 3 | Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening. Eur J Med Chem. 2013;70:393-9. | ||||
| REF 4 | Discovery of Small Molecules as Multi-Toll-like Receptor Agonists with Proinflammatory and Anticancer Activities. J Med Chem. 2017 Jun 22;60(12):5029-5044. | ||||
| REF 5 | Development of -amino alcohol derivatives that inhibit Toll-like receptor 4 mediated inflammatory response as potential antiseptics. J Med Chem. 2011 Jul 14;54(13):4659-69. | ||||
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