Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40000 | Target Info | |||
| Target Name | Tissue kallikrein (KLK1) | ||||
| Synonyms |
Kidney/pancreas/salivary gland kallikrein; Kallikrein1; Kallikrein-1
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| Target Type | Literature-reported Target | ||||
| Gene Name | KLK1 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 24 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(17S,20R)-20-(Benzylsulfonylamino)-N-[(4-carbamimidoylphenyl)methyl]-3,10,19-trioxo-2,5,8,11,18-pentazatetracyclo[20.2.2.25,8.212,15]triaconta-1(25),12,14,22(26),23,27-hexaene-17-carboxamide;2,2,2-trifluoroacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2315239
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| Activity |
Ki ~ 50000 nM
|
[1] | |||
| Compound Name |
1-Phenyl-2-(5-carboxybenzoxazole-2-ylthiomethyl)-5-(pivaloyloxy)-1,4-dihydropyridine-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3093806; BDBM50444295
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| 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
|
[3] | |||
| Compound Name |
1-Adamantyl N-[(2R)-1-[[(1S)-2-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-naphthalen-2-yl-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160805
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| 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
|
[3] | |||
| Compound Name |
2-(Benzothiazole-2-ylthiomethyl)-5-(pivaloyloxy)-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3093815; BDBM50444297
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
2-(5-Carboxybenzoxazole-2-ylthiomethyl)-5-(pivaloyloxy)-4H-pyran-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3093814; BDBM50444296
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
(2R)-2-[[(2R)-2-[[2-[[2-[[2-[[(2S)-2-[[(7R,10S,13S,16S,22S,25S,28S,31R,34S,37S,45S,48S,51R)-51-Acetamido-45-benzyl-10-[(2S)-butan-2-yl]-34-(4-carbamimidamidobutyl)-13-(carboxymethyl)-48-(hydroxymethyl)-22,25,37-tris[(4-hydroxyphenyl)methyl]-9,12,15,21,24,27,30,33,36,39,44,47,50-tridecaoxo-28-propan-2-yl-5,53,58-trithia-8,11,14,20,23,26,29,32,35,38,43,46,49-tridecazapentacyclo[29.25.3.13,55.016,20.040,43]hexaconta-1(56),2,55(60)-triene-7-carbonyl]amino]propanoyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4070056; BDBM50256262
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| Activity |
Ki = 50000 nM
|
[3] | |||
| Compound Name |
{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2371655; BDBM50012996
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| Activity |
IC50 = 53800 nM
|
[5] | |||
| Compound Name |
{1-[1-(4-Amino-1-formyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3143643; CHEMBL176386; BDBM50013002
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|
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| Activity |
IC50 = 82400 nM
|
[5] | |||
| Compound Name |
N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-fluoroethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1907778; BDBM50366643
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|
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| Activity |
Ki = 87000 nM
|
[6] | |||
| Compound Name |
N-[(2R)-3-(3-Aminopropylsulfanyl)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1907779; BDBM50366642
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| Activity |
Ki = 87000 nM
|
[6] | |||
| Compound Name |
N-[3-(1,3-Benzothiazol-2-yl)-1-(4-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,3-dimethyl-2,4-dihydro-1H-quinoline-8-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL39375; BDBM50090231
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| Activity |
Ki = 92000 nM
|
[6] | |||
| Compound Name |
4-(4-Guanidinobenzoyloxy)phenylacetic acid
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Investigative | Compound Info | ||
| Synonyms |
Foy 251; 4-GBCE (methanesulfonate); 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt; CHEMBL433135; Foy-251; {4-[(4-carbamimidamidobenzoyl)oxy]phenyl}acetic acid methanesulfonate(1:1); FOY 251Camostat metabolite; SCHEMBL1649708; SCHEMBL11417275; CTK8D7311; DTXSID20991365; HY-19727A; CS-0016501; FT-0668867
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(S)-1-(9-Hydroxy-9H-3-aza-fluorene-9-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL372449; BDBM50164263
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| Activity |
Ki ~ 100000 nM
|
[8] | |||
| Compound Name |
1-{2-[(4-Chlorophenyl)amino]-2-oxoethyl}-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
2-carboxyindole 27; 2-Carboxyindole Scaffold 45; CHEMBL368238; SCHEMBL1675077; BDBM12400; DB07974; Q27097204; N-(4-Chlorophenyl)-2-(1-isopropyl-4-piperidinylcarbamoyl)-1H-indole-1-acetamide
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
1H-Indole-1-acetamide,N-(5-chloro-2-pyridinyl)-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-
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Investigative | Compound Info | ||
| Synonyms |
2-carboxyindole 29; CHEMBL182597; SCHEMBL1675122; BDBM15867; ZINC14959798; 1-[2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| Compound Name |
2-[[(E)-3-[4-(4-Carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-prop-2-enylamino]acetic acid;methanesulfonic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL85154; SCHEMBL5574445
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Methyl N-[3-[(2S)-1-[(2R)-2-(3-carbamoylanilino)-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3947087; BDBM50201265
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
2-Carboxyindole 17
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL181849; SCHEMBL1675180; BDBM15857; 1-[(6-chloro-1-benzothiophen-2-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide; 1-[(6-chloro-1-benzothiophen-2-yl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
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| Activity |
Ki ~ 100000 nM
|
[9] | |||
| 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 = 125000 nM
|
[11] | |||
| Compound Name |
N-[(2R)-1-[[2-[[1-[4-(Diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]morpholine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160803
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|
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| Activity |
Ki ~ 150000 nM
|
[4] | |||
| Compound Name |
1-Adamantyl N-[(2R)-1-[[(2S)-1-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160809
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|
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| Activity |
Ki = 191000 nM
|
[4] | |||
| Compound Name |
(2S)-1-[(2R)-2-Amino-3,3-diphenylpropanoyl]-N-[1-(diaminomethylideneamino)-5,8-dioxo-8-piperidin-1-yloctan-4-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1202120
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| Activity |
Ki = 199000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 18 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| 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 = 221000 nM
|
[11] | |||
| Compound Name |
Tert-butyl N-[(2R)-1-[[(1S)-2-[[1-[4-(diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-naphthalen-2-yl-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160808
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| Activity |
Ki = 223000 nM
|
[4] | |||
| 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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|
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| Activity |
IC50 = 400000 nM
|
[11] | |||
| Compound Name |
Chembl432400
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2370338; BDBM50079381
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| Activity |
Ki = 630000 nM
|
[13] | |||
| Compound Name |
4-[(2R)-3-(3-Carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL107627; BDBM50060035
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
Mupain-1
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3734777; BDBM50499239
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| Activity |
Ki > 1000000 nM
|
[15] | |||
| Compound Name |
3-[(R)-3-(4-Acetyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL322901; BDBM50060029
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|
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-3-oxo-2-(2,2,5,7,8-pentamethyl-chroman-6-sulfonylamino)-propyl]-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL107743; BDBM50060019
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|
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
3-[(R)-3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL107282; BDBM50060024
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|
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
3-[(R)-3-(4-Formyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL322165; BDBM50060023
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
3-[(R)-2-[2-(7,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-1-yl)-ethanesulfonylamino]-3-(4-methanesulfonyl-piperazin-1-yl)-3-oxo-propyl]-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL319035; BDBM50060046
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
(3R,8R,11S,14S,17S,20S,23S,26S,29S,32S)-3-Amino-20-[(1-carbamimidoylpiperidin-4-yl)methyl]-11-(carboxymethyl)-23-(hydroxymethyl)-17,26-bis[(4-hydroxyphenyl)methyl]-29-methyl-14-(2-methylpropyl)-2,10,13,16,19,22,25,28,31-nonaoxo-5,6-dithia-1,9,12,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-8-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3735080; BDBM50499240
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| Activity |
Ki > 1000000 nM
|
[15] | |||
| Compound Name |
3-[(R)-3-(4-Methyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL107911; BDBM50060031
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
3-[(R)-3-(4-Methanesulfonyl-piperazin-1-yl)-2-(naphthalene-2-sulfonylamino)-3-oxo-propyl]-benzamidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL107392; BDBM50060017
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| Activity |
Ki > 1000000 nM
|
[14] | |||
| Compound Name |
6-Amino-N-[(3S,7E,9S,12R,16S,19S)-16-[[3-(aminomethyl)phenyl]methyl]-12-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]hexanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927450; BDBM50359553
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| Activity |
Ki = 1300000 nM
|
[16] | |||
| Compound Name |
N-[(3S,7E,9S,12R,16S,19S)-16-[[3-(Aminomethyl)phenyl]methyl]-12-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-2,6,11,14,18-pentaoxo-1,5,10,13,17-pentazabicyclo[17.3.0]docos-7-en-3-yl]acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1927307; BDBM50359552
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| Activity |
Ki = 1800000 nM
|
[16] | |||
| Compound Name |
N-[(2R)-1-[[(2S)-1-[[1-[4-(Diaminomethylideneamino)phenyl]-4,4,4-trifluoro-3-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]morpholine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160804
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|
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| Activity |
Ki > 2500000 nM
|
[4] | |||
| Compound Name |
3-[Bis(6-aminohexyl)amino]tetrahydro-4H-thiopyran-4-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL318854; BDBM50079380; 3-[Bis-(6-amino-hexyl)-amino]-tetrahydro-thiopyran-4-one
Click to Show/Hide
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| Activity |
Ki > 10000000 nM
|
[13] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Development of new cyclic plasmin inhibitors with excellent potency and selectivity. J Med Chem. 2013 Feb 14;56(3):820-31. | ||||
| REF 2 | Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors. J Med Chem. 2013 Dec 12;56(23):9802-6. | ||||
| REF 3 | 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 4 | Synthesis of potent and selective inhibitors of human plasma kallikrein. Bioorg Med Chem Lett. 1999 Feb 8;9(3):301-6. | ||||
| REF 5 | New leupeptin analogues: synthesis and inhibition data. J Med Chem. 1990 Jan;33(1):86-93. | ||||
| REF 6 | The design and synthesis of thrombin inhibitors: analogues of MD805 containing non-polar surrogates for arginine at the P1 position. Bioorg Med Chem Lett. 2000 Jul 17;10(14):1563-6. | ||||
| REF 7 | New orally active serine protease inhibitors. J Med Chem. 1995 Jul 7;38(14):2521-3. | ||||
| REF 8 | 9-hydroxyazafluorenes and their use in thrombin inhibitors. J Med Chem. 2005 Apr 7;48(7):2282-93. | ||||
| REF 9 | Factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of neutral P1 substituents. Bioorg Med Chem Lett. 2004 Aug 16;14(16):4191-5. | ||||
| REF 10 | Discovery of Phenylglycine Lactams as Potent Neutral Factor VIIa Inhibitors. ACS Med Chem Lett. 2016 Sep 17;7(12):1077-81. | ||||
| REF 11 | 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. | ||||
| REF 12 | Synthesis and biological activity of ketomethylene pseudopeptide analogues as thrombin inhibitors. J Med Chem. 1992 Sep 4;35(18):3364-9. | ||||
| REF 13 | 4-Heterocyclohexanone-based inhibitors of the serine protease plasmin. J Med Chem. 1999 Jul 29;42(15):2969-76. | ||||
| REF 14 | Synthesis and structure-activity relationships of potent thrombin inhibitors: piperazides of 3-amidinophenylalanine. J Med Chem. 1997 Sep 12;40(19):3091-9. | ||||
| REF 15 | Design of Specific Serine Protease Inhibitors Based on a Versatile Peptide Scaffold: Conversion of a Urokinase Inhibitor to a Plasma Kallikrein Inhibitor. J Med Chem. 2015 Nov 25;58(22):8868-76. | ||||
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