Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23471 | Target Info | |||
| Target Name | Myeloperoxidase (MPO) | ||||
| Synonyms |
MPO
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | MPO | ||||
| Biochemical Class | Peroxidases | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 12 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-Benzamido-2-[3-(trifluoromethyl)anilino]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL271126; BDBM50371735
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| Activity |
IC50 = 58000 nM
|
[1] | |||
| Compound Name |
H-Leu-Arg-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL439468; BDBM50008373
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| Activity |
EC50 = 60000 nM
|
[2] | |||
| Compound Name |
Ile-Ser-Phe-Lys-Asp-Met-Gln-Leu-Gly-Arg
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL441393; BDBM50008381; H-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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| Activity |
EC50 = 60000 nM
|
[2] | |||
| Compound Name |
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
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Investigative | Compound Info | ||
| Synonyms |
MPO-IN-28; GNF-Pf-3346; (7-methoxy-4-methyl-quinazolin-2-yl)-guanidine; 1-(7-methoxy-4-methylquinazolin-2-yl)guanidine; 2-(7-Methoxy-4-methyl-2-quinazolinyl)guanidine; Cambridge id 5228472; N-(7-Methoxy-4-methyl-quinazolin-2-yl)-guanidine; CHEMBL581893; GTPL9670; SCHEMBL2459826; SCHEMBL21964141; HMS1610B22; BCP32892; MFCD00475732; STK069838; ZINC19228541; AKOS000645638; MCULE-4584117080; compound 28 [PMID: 28671460]; BS-17148; ST002657; HY-115486; CS-0087062; AB00075953-01; SR-01000449764; SR-01000449764-1; amino(7-methoxy-4-methylquinazolin-2-yl)carboxamidine
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|
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| Activity |
IC50 = 93100 nM
|
[3] | |||
| Compound Name |
Xylarenone D
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1813184; BDBM50448072; Q27138078
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
4-[[(E)-3-Carboxyprop-2-enoyl]amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL270911; BDBM50371730
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Xylarenone F
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3120624; BDBM50448070
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
3-[(3-Trifluoromethylphenyl)amino]phthalic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL402448; BDBM50371739
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Xylarenone G
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3120625; BDBM50448071
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Xylarenone C, (rel)-
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|
Investigative | Compound Info | ||
| Synonyms |
Xylarenone C; CHEMBL1813183; BDBM50349829; Q27138077
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
4-(4-Hydroxybutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL411739; BDBM50371734
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|
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
H-Thi-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL127385; BDBM50008371
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|
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| Activity |
EC50 = 200000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-[(3R)-1-(2,3-Dihydro-1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-6-fluoro-1H-benzimidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4064328
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|
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| Activity |
IC50 = 313600 nM
|
[3] | |||
| Compound Name |
H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL408929; BDBM50008383
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|
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| Activity |
EC50 = 330000 nM
|
[2] | |||
| Compound Name |
Chembl4282403
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|
Investigative | Compound Info | ||
| Synonyms |
AKOS000222210
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| Activity |
IC50 = 1700000 nM
|
[5] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Conception of myeloperoxidase inhibitors derived from flufenamic acid by computational docking and structure modification. Bioorg Med Chem. 2008 Feb 15;16(4):1702-20. | ||||
| REF 2 | Improvements in the minimum binding sequence of C5a: examination of His-67. J Med Chem. 1992 Jan 24;35(2):402-6. | ||||
| REF 3 | Discovery of Novel Potent Reversible and Irreversible Myeloperoxidase Inhibitors Using Virtual Screening Procedure. J Med Chem. 2017 Aug 10;60(15):6563-6586. | ||||
| REF 4 | Biologically active eremophilane-type sesquiterpenes from Camarops sp., an endophytic fungus isolated from Alibertia macrophylla. J Nat Prod. 2014 Mar 28;77(3):668-72. | ||||
| REF 5 | Triazolopyrimidines identified as reversible myeloperoxidase inhibitors. Medchemcomm. 2017 Oct 26;8(11):2093-2099. | ||||
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