Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T43332 | Target Info | |||
| Target Name | Coagulation factor VII (F7) | ||||
| Synonyms |
Serum prothrombin conversion accelerator; SPCA; Proconvertin; Eptacog alfa
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| Target Type | Successful Target | ||||
| Gene Name | F7 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 20 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 |
(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
|
[1] | |||
| Compound Name |
1H-Pyrazole-5-carboxamide, N-((5-chloro-2-(1H-tetrazol-1-yl)phenyl)methyl)-1-((2R)-2-(4-fluorophenyl)-2-hydroxyacetyl)-4,5-dihydro-, (5S)-
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Investigative | Compound Info | ||
| Synonyms |
UNII-24QBD6H83I; 24QBD6H83I; AZ12971554; AZ-12971554; SCHEMBL642384; GTPL7727; CHEMBL3787587; AZ 12971554; J3.595.038I; Q27074658
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| Activity |
IC50 = 51000 nM
|
[2] | |||
| Compound Name |
6-Hydroxy-2-(2-hydroxy-3-biphenylyl)-1H-indole-5-carboxamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL127407; BDBM50106242; 6-Hydroxy-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine
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| Activity |
Ki ~ 75000 nM
|
[3] | |||
| Compound Name |
Benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797526; BDBM50347172
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| Activity |
Ki = 89000 nM
|
[4] | |||
| Compound Name |
N-((1R,2S,5S)-2-(5-Chloro-1H-indole-2-carboxamido)-5-(dimethylcarbamoyl)cyclohexyl)-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL479863; SCHEMBL763988; BDBM35743; cis-1,2-diaminocyclohexane derivative, A; Q27459737
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| Activity |
Ki ~ 100000 nM
|
[5] | |||
| Compound Name |
2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL168471; SCHEMBL3913553; BDBM50124010; ZINC13493521
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-[[(3S,3Ar)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzothiazin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330482; BDBM50024529
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
N-[[(3S)-1-Oxo-7-(3-oxomorpholino)-3abeta,4-dihydro-1H,3H-2,5-dioxa-9b-aza-2H-benzo[e]indene-3beta-yl]methyl]-5-chlorothiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330442; SCHEMBL16609922; BDBM50024356
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
N-Butyl-3-[[4-(diaminomethylideneamino)phenyl]methylamino]imidazo[1,2-a]pyridine-7-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740183; BDBM50499900
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
5-Chloro-N-(((3S,3aS)-1-oxo-7-(3-oxomorpholino)-3,3a,4,5-tetrahydro-1H-oxazolo[3,4-a]quinolin-3-yl)methyl)thiophene-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330490; DJT06001; BDBM50024538
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Anabaenopeptin C
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3577334; BDBM50089686
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
Anabaenopeptin B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL368684; BDBM50089688
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| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
N-[[(3S,3As)-1-oxo-7-(3-oxomorpholin-4-yl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinoxalin-3-yl]methyl]-5-chlorothiophene-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3330493; BDBM50024536
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[[(2R)-1-[[1-[(4-Carbamimidoylphenyl)methylamino]-1-oxo-4-piperidin-4-ylbutan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3115894; BDBM50447517
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|
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| Activity |
Ki ~ 100000 nM
|
[10] | |||
| Compound Name |
(1R,6R,8S,8As)-6-amino-N-[(4-carbamimidoylphenyl)methyl]-6-(cyclohexen-1-ylmethyl)-1-ethyl-8-methoxy-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxamide;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL544792
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|
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| Activity |
IC50 = 109000 nM
|
[11] | |||
| Compound Name |
(S)-Benzyl 1-(5-(4-((2,3-dihydro-1H-inden-2-yl)carbamoyl)benzyl)-1,2,4-oxadiazol-3-yl)-6-amino-1-oxohexan-2-ylcarbamate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL213927; BDBM50187158
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|
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| Activity |
Ki = 140000 nM
|
[12] | |||
| Compound Name |
N-[(2S)-6-Amino-1-[5-[[4-[2-(3,4-dichlorophenyl)ethoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxohexan-2-yl]-3,4-difluorobenzamide;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL536972
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| Activity |
Ki ~ 150000 nM
|
[13] | |||
| Compound Name |
Ethyl {(1S)-5-amino-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-YL)carbonyl]pentyl}carbamate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL214368; CRA23; BDBM14312; Q27458643
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| Activity |
Ki ~ 150000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 14 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-[3-[(2-Fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441055; BDBM50442071
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| Activity |
Ki > 250000 nM
|
[14] | |||
| Compound Name |
N-[3-[(3,5-Difluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441054; BDBM50442070
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| Activity |
Ki > 250000 nM
|
[14] | |||
| Compound Name |
N-[3-[(4-Fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441058; BDBM50442072
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| Activity |
Ki > 250000 nM
|
[14] | |||
| Compound Name |
N-[3-(3-Fluorobenzyloxy)phenyl]-1-(4-pyridinyl)piperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441057; SCHEMBL20567857; BDBM50442068; N-[3-[(3-fluorophenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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| Activity |
Ki > 250000 nM
|
[14] | |||
| Compound Name |
N-[3-[(3,4-Dimethoxyphenyl)methoxy]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2441037; BDBM50442069
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| Activity |
Ki > 250000 nM
|
[14] | |||
| Compound Name |
2-(1H-Imidazol-4-yl)-1H-benzoimidazole-5-carboxamidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL202433; SCHEMBL7410528; BDBM50176243; 2-(1H-imidazol-5-yl)-3H-benzimidazole-5-carboximidamide
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| Activity |
Ki = 370000 nM
|
[15] | |||
| Compound Name |
(2S)-2-Acetamido-N-[(2S)-1-[[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797523; BDBM50347169
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|
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| Activity |
IC50 > 400000 nM
|
[4] | |||
| Compound Name |
2-(1H-Benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole-5-carboxamidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL202010; BDBM50176244
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| Activity |
Ki = 440000 nM
|
[15] | |||
| Compound Name |
(2S)-2-[[(2S)-2-(Benzylsulfonylamino)-3-phenylpropanoyl]amino]-N-[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]-4-methylpentanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797521; BDBM50347167
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|
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| Activity |
IC50 > 580000 nM
|
[4] | |||
| Compound Name |
(2S)-2-[[(2R)-2-(Benzylsulfonylamino)-3-phenylpropanoyl]amino]-N-[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797525; BDBM50347171
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| Activity |
IC50 = 640000 nM
|
[4] | |||
| Compound Name |
(3R)-2-[2-(4-Chlorophenyl)acetyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2040983; BDBM50386271
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| Activity |
IC50 > 1000000 nM
|
[16] | |||
| Compound Name |
(2S,3R)-2-[[(2S)-2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]-3-hydroxybutanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797519; BDBM50347165
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| Activity |
IC50 > 1340000 nM
|
[4] | |||
| Compound Name |
(2S,3R)-2-[[(2S)-2-Acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]-3-hydroxybutanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797520; BDBM50347166
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| Activity |
IC50 > 1340000 nM
|
[4] | |||
| Compound Name |
(2S)-2-Amino-N-[(2S)-1-[[(3S)-7-(diaminomethylideneamino)-2-oxo-1-phenylheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1797522; BDBM50347168
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| Activity |
IC50 > 1480000 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 | Discovery of AZD8165 - a clinical candidate from a novel series of neutral thrombin inhibitors. Medchemcomm. 2016;7:272-81. | ||||
| REF 3 | Exploiting subsite S1 of trypsin-like serine proteases for selectivity: potent and selective inhibitors of urokinase-type plasminogen activator. J Med Chem. 2001 Nov 8;44(23):3856-71. | ||||
| REF 4 | Design, synthesis and biological activity of novel peptidyl benzyl ketone FVIIa inhibitors. Bioorg Med Chem Lett. 2011 Jul 1;21(13):3918-22. | ||||
| REF 5 | Discovery of N-[(1R,2S,5S)-2-{[(5-chloroindol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamide hydrochloride: a novel, potent and orally active direct inhibitor of factor Xa. Bioorg Med Chem. 2009 Feb 1;17(3):1193-206. | ||||
| REF 6 | Structure-activity relationship study and drug profile of N-(4-fluorophenylsulfonyl)-L-valyl-L-leucinal (SJA6017) as a potent calpain inhibitor. J Med Chem. 2003 Feb 27;46(5):868-71. | ||||
| REF 7 | Design, synthesis, and structure-activity and structure-pharmacokinetic relationship studies of novel [6,6,5] tricyclic fused oxazolidinones leading to the discovery of a potent, selective, and orally bioavailable FXa inhibitor. J Med Chem. 2014 Sep 25;57(18):7770-91. | ||||
| REF 8 | Discovery and SAR of Novel and Selective Inhibitors of Urokinase Plasminogen Activator (uPA) with an Imidazo[1,2-a]pyridine Scaffold. J Med Chem. 2015 Dec 10;58(23):9238-57. | ||||
| REF 9 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin. J Med Chem. 2015 Jun 11;58(11):4839-44. | ||||
| REF 10 | Design, synthesis, and SAR of a series of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia. Bioorg Med Chem Lett. 2014 Feb 1;24(3):821-7. | ||||
| REF 11 | Targeting thrombin and factor VIIa: design, synthesis, and inhibitory activity of functionally relevant indolizidinones. Bioorg Med Chem Lett. 2002 Oct 21;12(20):2907-11. | ||||
| REF 12 | Design of novel, potent, and selective human beta-tryptase inhibitors based on alpha-keto-[1,2,4]-oxadiazoles. Bioorg Med Chem Lett. 2006 Aug 1;16(15):4036-40. | ||||
| REF 13 | Design and synthesis of selective keto-1,2,4-oxadiazole-based tryptase inhibitors. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3434-9. | ||||
| REF 14 | Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem. 2013 Nov 14;56(21):8696-711. | ||||
| REF 15 | Generation of potent coagulation protease inhibitors utilizing zinc-mediated chelation. Bioorg Med Chem Lett. 2006 Feb;16(3):710-3. | ||||
| REF 16 | Potent direct inhibitors of factor Xa based on the tetrahydroisoquinoline scaffold. Eur J Med Chem. 2012 Aug;54:771-83. | ||||
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