Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T11808 | Target Info | |||
| Target Name | Kallikrein-5 (KLK5) | ||||
| Synonyms |
UNQ570/PRO1132; Stratum corneum tryptic enzyme; SCTE; Kallikrein-like protein 2; KLK-L2
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| Target Type | Patented-recorded Target | ||||
| Gene Name | KLK5 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 18 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(1R,7S,10S,13S,16S,22S,25S,28S,40R,43S,46S,49S,52S,58S,61S)-40-Acetamido-43,52-bis(2-amino-2-oxoethyl)-13-(carboxymethyl)-46-[(1R)-1-hydroxyethyl]-10,49,61-tris(1H-indol-3-ylmethyl)-16-methyl-25-(2-methylpropyl)-2,8,11,14,17,23,26,41,44,47,50,53,59,62-tetradecaoxo-30,38,65-trithia-3,9,12,15,18,24,27,42,45,48,51,54,60,63-tetradecazahexacyclo[32.29.3.132,36.03,7.018,22.054,58]heptahexaconta-32,34,36(67)-triene-28-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4059991; BDBM50256261
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| Activity |
Ki = 50000 nM
|
[1] | |||
| Compound Name |
(7R,10S,13S,21S,24S,27S,30S,33S,36S,39S,42S,45R)-7-Acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-39-(carboxymethyl)-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-triene-45-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4094403; BDBM50256260
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,49S)-19-(4-Aminobutyl)-49-(2-amino-2-oxoethyl)-4,28-bis[(2S)-butan-2-yl]-25-[3-(diaminomethylideneamino)propyl]-22-(hydroxymethyl)-34-(1H-indol-3-ylmethyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-53,54-dithia-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecazapentacyclo[29.20.4.07,11.013,17.043,47]pentapentacontan-40-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3623791; BDBM50125028
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| Activity |
Ki ~ 50000 nM
|
[2] | |||
| Compound Name |
Vioxanthin
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Investigative | Compound Info | ||
| Synonyms |
UNII-9C67W47A7M; CHEMBL1834754; 9C67W47A7M; Tf-26Vx; Antibiotic Tf26Vx; CTK8E0342; DTXSID001017880; BDBM50355088; NSC729023; NSC-729023; Q27272343
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| Activity |
IC50 = 53700 nM
|
[3] | |||
| Compound Name |
Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109168; BDBM50446216
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| Activity |
IC50 = 53900 nM
|
[4] | |||
| Compound Name |
N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2087346; BDBM50391078
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| Activity |
Ki = 70400 nM
|
[5] | |||
| Compound Name |
N-[(Z)-3-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109056; BDBM50446227
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| Activity |
Ki = 70700 nM
|
[4] | |||
| Compound Name |
N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2087343; BDBM50391075
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| Activity |
Ki = 70700 nM
|
[5] | |||
| Compound Name |
(Z)-N-[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-acetamido-3-thiophen-2-ylprop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2087347; BDBM50391079
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| Activity |
Ki = 71900 nM
|
[5] | |||
| Compound Name |
8,8'-Paepalantine dimer
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1834753; NSC724592; BDBM50355086; NSC-724592
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| Activity |
IC50 = 72900 nM
|
[3] | |||
| Compound Name |
(5E)-5-(3,4-Dimethoxybenzylidene)-3-{[(5-fluoro-2-methylphenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099882; HMS591L04; BDBM50444597; ZINC16677485; BIM-0030827.P001; AB00095447-01
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| Activity |
Ki = 95000 nM
|
[6] | |||
| Compound Name |
(Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099874; ZINC5023753; BDBM50444602; SR-01000218328; SR-01000218328-1
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| Activity |
Ki = 100000 nM
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[6] | |||
| Compound Name |
(Z)-2-Cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099871; BDBM50444603; ZINC15219993; SR-01000218135; SR-01000218135-1
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| Activity |
Ki = 107000 nM
|
[6] | |||
| Compound Name |
(2Z)-2-Cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099870; BDBM50444604; ZINC12418985; AKOS024279418; ST026815; SR-01000218255; SR-01000218255-1
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| Activity |
Ki = 112000 nM
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[6] | |||
| Compound Name |
(2Z)-2-Benzimidazol-2-yl-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]p rop-2-enenitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099878; ZINC4453116; BDBM50444598; AKOS000605166; ST50282865
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| Activity |
Ki = 121000 nM
|
[6] | |||
| Compound Name |
Tert-butyl N-[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109059; BDBM50446230
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| Activity |
IC50 = 156900 nM
|
[4] | |||
| Compound Name |
Benzyl (2S)-2-[[(2S)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109171; BDBM50446213
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| Activity |
IC50 = 157400 nM
|
[4] | |||
| Compound Name |
N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2087345; BDBM50391077
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| Activity |
Ki = 200000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 7 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109159; BDBM50446225
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| Activity |
IC50 = 222900 nM
|
[4] | |||
| Compound Name |
Benzyl (2R)-2-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109057; BDBM50446212
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| Activity |
IC50 = 320600 nM
|
[4] | |||
| Compound Name |
[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109161; BDBM50446223
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| Activity |
IC50 = 356600 nM
|
[4] | |||
| Compound Name |
N-[(Z)-3-[[(3R,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2087344; BDBM50391076
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| Activity |
Ki = 357100 nM
|
[5] | |||
| Compound Name |
[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109162; BDBM50446222
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| Activity |
IC50 = 376600 nM
|
[4] | |||
| Compound Name |
Tert-butyl N-[(2R)-1-[[(3S,3aR,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109167; BDBM50446217
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| Activity |
IC50 = 479800 nM
|
[4] | |||
| Compound Name |
2-O-[(3R,3Ar,6R,6aR)-3-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109158; BDBM50446226
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| Activity |
IC50 = 520700 nM
|
[4] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema. J Med Chem. 2018 Apr 12;61(7):2823-2836. | ||||
| REF 2 | Improving the Selectivity of Engineered Protease Inhibitors: Optimizing the P2 Prime Residue Using a Versatile Cyclic Peptide Library. J Med Chem. 2015 Oct 22;58(20):8257-68. | ||||
| REF 3 | Biological evaluation and docking studies of natural isocoumarins as inhibitors for human kallikrein 5 and 7. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6112-5. | ||||
| REF 4 | Isomannide-based peptidomimetics as inhibitors for human tissue kallikreins 5 and 7. ACS Med Chem Lett. 2013 Dec 6;5(2):128-32. | ||||
| REF 5 | Isomannide derivatives as new class of inhibitors for human kallikrein 7. Bioorg Med Chem Lett. 2012 Oct 1;22(19):6072-5. | ||||
| REF 6 | Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins. Eur J Med Chem. 2013;70:661-8. | ||||
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