Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79155 | Target Info | |||
| Target Name | Kallikrein-7 (KLK7) | ||||
| Synonyms |
hK7; Stratum corneum chymotryptic enzyme; Serine protease 6; SCCE; PRSS6; HSCCE
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| Target Type | Patented-recorded Target | ||||
| Gene Name | KLK7 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 28 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
4-[4-(4-Hydroxy-phenyl)-phthalazin-1-ylamino]-N-methyl-benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1462676; Cambridge id 7235017; MLS001212820; HMS2833P12; BDBM50444600; STK081312; AKOS000664808; ZINC100627035; MCULE-9143457757; SMR000523125; 4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-N-methylbenzamide
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| Activity |
Ki = 50000 nM
|
[1] | |||
| Compound Name |
(13S)-13-Benzyl-11-(2-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3125572; BDBM50073222
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| Activity |
Ki = 50600 nM
|
[2] | |||
| 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 = 55000 nM
|
[1] | |||
| Compound Name |
(13S)-13-Benzyl-11-(3,4,5-trimethoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408421; BDBM50073228
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| Activity |
IC50 = 55700 nM
|
[2] | |||
| Compound Name |
Benzyl N-[(2S)-1-[[(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-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109060; BDBM50446229
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| Activity |
IC50 = 56600 nM
|
[3] | |||
| 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 = 59200 nM
|
[3] | |||
| Compound Name |
(13S)-13-Benzyl-11-(4-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3125570; BDBM50073230
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| Activity |
IC50 = 68000 nM
|
[2] | |||
| 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 = 70000 nM
|
[1] | |||
| Compound Name |
(13S)-13-Benzyl-11-(4-methoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3125571; BDBM50073231
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|
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| Activity |
IC50 = 72000 nM
|
[2] | |||
| 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 = 72000 nM
|
[1] | |||
| Compound Name |
2-((3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)amino)-2-oxoethyl 2-(2-methyl-1H-indol-3-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
DKFZ-251; CHEMBL4218203; SCHEMBL20037008; GTPL10575; TQP0912; BDBM50459538; compound 11 [PMID: 30212625]; [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
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| Activity |
IC50 = 73000 nM
|
[4] | |||
| 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 = 75000 nM
|
[1] | |||
| 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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|
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| Activity |
Ki = 75100 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 = 77400 nM
|
[5] | |||
| 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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|
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| Activity |
Ki = 80300 nM
|
[5] | |||
| Compound Name |
(13S)-13-Benzyl-11-(2,5-dimethoxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408419; BDBM50073229
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|
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| Activity |
IC50 = 80900 nM
|
[2] | |||
| 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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|
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| Activity |
Ki = 83000 nM
|
[1] | |||
| Compound Name |
(13S)-13-Benzyl-11-(2,4-dimethylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408416; BDBM50073233
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| Activity |
IC50 = 83900 nM
|
[2] | |||
| 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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|
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| Activity |
IC50 = 84500 nM
|
[3] | |||
| Compound Name |
2-(4-{(1Z)-2-Cyano-2-[N-(3-ethoxyphenyl)carbamoyl]vinyl}-2-methoxyphenoxy)acet ic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3099875; ZINC5059113; BDBM50444599; AKOS024279048; ST025143; SR-01000222996; SR-01000222996-1
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|
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| Activity |
Ki = 95000 nM
|
[1] | |||
| Compound Name |
(13R)-13-Benzyl-11-(2-methylphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408410; BDBM50073232
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|
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| Activity |
IC50 = 95900 nM
|
[2] | |||
| Compound Name |
8,8'-Paepalantine dimer
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1834753; NSC724592; BDBM50355086; NSC-724592
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|
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| Activity |
IC50 = 112400 nM
|
[6] | |||
| Compound Name |
(13S)-13-Benzyl-11-(3-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408430; BDBM50073227
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|
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| Activity |
IC50 = 124800 nM
|
[2] | |||
| Compound Name |
2-[[(3S,3Ar,6S,6aR)-6-[[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3901491; BDBM50205625
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|
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| Activity |
IC50 = 133000 nM
|
[7] | |||
| 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 = 135300 nM
|
[6] | |||
| Compound Name |
N-[(2S)-1-(2-Aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408439; BDBM50073226
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|
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| Activity |
IC50 = 135400 nM
|
[2] | |||
| Compound Name |
N-[(2S)-1-(2-Aminoimidazo[1,2-a]pyridin-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-phenylacetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3408441; BDBM50073224
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|
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| Activity |
IC50 = 149200 nM
|
[2] | |||
| Compound Name |
2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-fluorophenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3951954; BDBM50205623
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| Activity |
IC50 = 185000 nM
|
[7] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 8 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 = 239000 nM
|
[3] | |||
| Compound Name |
2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-hydroxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3943212; BDBM50205620
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|
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| Activity |
IC50 = 249000 nM
|
[7] | |||
| 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 = 249300 nM
|
[3] | |||
| Compound Name |
2-[[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-[2-(4-methoxyphenyl)acetyl]amino]-N-cyclohexyl-2-methylpropanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3963267; BDBM50205624
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| Activity |
IC50 = 272000 nM
|
[7] | |||
| 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-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109170; BDBM50446214
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|
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| Activity |
IC50 = 418300 nM
|
[3] | |||
| 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]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3109169; BDBM50446215
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| Activity |
IC50 = 456800 nM
|
[3] | |||
| Compound Name |
N-[(3S,3Ar,6R,6aS)-6-phenylmethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-N-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3891631; BDBM50205621
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| Activity |
IC50 = 572000 nM
|
[7] | |||
| 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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|
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| Activity |
IC50 > 1000000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
| REF 2 | Pyrido-imidazodiazepinones as a new class of reversible inhibitors of human kallikrein 7. Eur J Med Chem. 2015 Mar 26;93:202-13. | ||||
| REF 3 | Isomannide-based peptidomimetics as inhibitors for human tissue kallikreins 5 and 7. ACS Med Chem Lett. 2013 Dec 6;5(2):128-32. | ||||
| REF 4 | Depsipeptides Featuring a Neutral P1 Are Potent Inhibitors of Kallikrein-Related Peptidase 6 with On-Target Cellular Activity. J Med Chem. 2018 Oct 11;61(19):8859-8874. | ||||
| 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 | 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 7 | Discovery of a new isomannide-based peptidomimetic synthetized by Ugi multicomponent reaction as human tissue kallikrein 1 inhibitor. Bioorg Med Chem Lett. 2017 Jan 15;27(2):314-318. | ||||
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