Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15556 | Target Info | |||
| Target Name | Endothelial plasminogen activator inhibitor (SERPINE1) | ||||
| Synonyms |
Serpin E1; Plasminogen activator inhibitor type 1; Plasminogen activator inhibitor 1; PLANH1; PAI1; PAI-1
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| Target Type | Clinical trial Target | ||||
| Gene Name | SERPINE1 | ||||
| Biochemical Class | Serpin protein | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 23 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
8-{4-[(4-Hydroxy-8-naphthalen-1-yl-2-oxo-1,2-dihydro-quinoline-3-carbonyl)-amino]-phenoxy}-octanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10076; BDBM50111301
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
4-Hydroxy-3-phenyl-2H-isoquinolin-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76315; Oprea1_215897; SCHEMBL854581; 3-phenylisoquinoline-1,4-diol; BDBM50116749; STK639784; AKOS005571745; AKOS030507887; ZINC100701552; MCULE-4978702268; 4-hydroxy-3-phenylisoquinolin-1(2H)-one; 3-Phenyl-4-hydroxy-1,2-dihydroisoquinoline-1-one
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
(3Z,6Z)-3-Benzylidene-6-[5-[3-(3-pyridinyl)propoxy]-2-pyridinylmethylene]piperazine-2,5-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL77248; BDBM50116756
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
[1-(4-Tert-Butyl-benzyl)-6-(4-trifluoromethoxy-phenyl)-1H-indol-3-yl]-oxo-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL325696; SCHEMBL4050213; BDBM50149280; 2-[1-[(4-tert-butylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
{1-Benzyl-4-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl}(oxo)acetic Acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL332886; SCHEMBL3866916; BDBM50149279; [1-Benzyl-4-(4-trifluoromethoxy-phenyl)-1H-indol-3-yl]-oxo-acetic acid; 2-[1-benzyl-4-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
(3Z,6Z)-3-Benzylidene-6-[[4-[2-(dimethylamino)ethylsulfanyl]phenyl]methylidene]piperazine-2,5-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL48336; SCHEMBL7355644; BDBM50127748
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| Activity |
IC50 = 51000 nM
|
[4] | |||
| Compound Name |
2,5-Piperazinedione, 3-((4-methoxyphenyl)methylene)-6-(phenylmethylene)-, (Z,Z)-
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Investigative | Compound Info | ||
| Synonyms |
XR 334; XR-334; CHEMBL49073; XR334; SCHEMBL6372616; 3-Benzylidene-6-(4'-methoxybenzylidene)piperazine-2,5-dione; BDBM50127731; (3Z,6Z)-3-benzylidene-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione; 3-Benzylidene-6-(4-methoxybenzylidene)-2,5-piperazinedione; (3Z,6Z)-6-Benzylidene-3-(4-methoxybenzylidene)-2,5-piperazinedione; 3-(4-Methoxy-benzylidene)-6-[1-phenyl-meth-(Z)-ylidene]-piperazine-2,5-dione
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| Activity |
IC50 = 59400 nM
|
[4] | |||
| Compound Name |
2-[N-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]anilino]-2-oxoacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL451106; BDBM50242807
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| Activity |
IC50 = 61000 nM
|
[5] | |||
| Compound Name |
1-Benzyl-5-(biphenyl-4-sulfonylamino)-1H-indole-2-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL186301; BDBM50169449
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|
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| Activity |
IC50 = 63100 nM
|
[6] | |||
| Compound Name |
5-Nitro-2-[2-[[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]methyl]phenoxy]benzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1834493; BDBM50354838
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| Activity |
IC50 = 63800 nM
|
[7] | |||
| Compound Name |
2-((3,5-Bis(trifluoromethyl)benzyl)(4-(4-chlorophenylsulfonamido)phenyl)amino)-2-oxoacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL518778; BDBM50242787
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| Activity |
IC50 = 75000 nM
|
[5] | |||
| Compound Name |
2-((3,5-Bis(trifluoromethyl)benzyl)(4-(4-methoxyphenylsulfonamido)phenyl)amino)-2-oxoacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL459846; BDBM50242788
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| Activity |
IC50 ~ 80000 nM
|
[5] | |||
| Compound Name |
2-[N-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]anilino]-2-oxoacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL460253; BDBM50242806
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| Activity |
IC50 = 86000 nM
|
[5] | |||
| Compound Name |
N-Benzyl-N-(4''-trifluoromethoxy-biphenyl-4-yl)-oxalamic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL459636; SCHEMBL1239623; BDBM50242752; 2-[N-benzyl-4-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetic acid
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| Activity |
IC50 = 96000 nM
|
[5] | |||
| Compound Name |
2-[2-Methoxy-6-[(5-phenylindol-1-yl)methyl]phenoxy]-5-nitrobenzoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1834491; BDBM50354836
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|
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| Activity |
IC50 = 98000 nM
|
[7] | |||
| Compound Name |
US9120744, Cde-072
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL2789571; CHEMBL3669195; BDBM175551
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| Activity |
IC50 = 104000 nM
|
[8] | |||
| Compound Name |
2-[N-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]anilino]-2-oxoacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL509537; BDBM50242799
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|
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| Activity |
IC50 = 114000 nM
|
[5] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethyl-3,5-difluoro-4-hydroxybenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596861; SCHEMBL13286822; BDBM50310307
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|
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| Activity |
IC50 = 128000 nM
|
[9] | |||
| Compound Name |
Euglobal IA2
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL454049; BDBM50241606; CCG-223808
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| Activity |
IC50 = 138000 nM
|
[10] | |||
| Compound Name |
US9120744, Cde-035
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669198; SCHEMBL13286851; BDBM175554
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|
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| Activity |
IC50 = 146000 nM
|
[8] | |||
| Compound Name |
(1'S,2R,4R,5'R)-5,7-Dihydroxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,2'-bicyclo[3.1.1]heptane]-6,8-dicarbaldehyde
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL509920; BDBM50241608
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|
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| Activity |
IC50 = 152000 nM
|
[10] | |||
| Compound Name |
US9120744, Cde-057
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669190; SCHEMBL13286866; BDBM175545
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|
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| Activity |
IC50 = 195000 nM
|
[8] | |||
| Compound Name |
2-[2-[2-(3,4,5-Trihydroxybenzoyl)oxyethoxy]ethoxy]ethyl 3,4,5-trihydroxybenzoate
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|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL8842754; CHEMBL3669179; BDBM175532; US9120744, CDE-012
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|
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| Activity |
IC50 = 196000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 20 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
US9120744, Cde-060
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669184; SCHEMBL13286800; BDBM175538
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|
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| Activity |
IC50 = 236000 nM
|
[8] | |||
| Compound Name |
US9120744, Cde-033
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669201; SCHEMBL13287076; BDBM175561
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| Activity |
IC50 = 246000 nM
|
[8] | |||
| Compound Name |
N,N'-Trimethylenebis(3,4,5-trihydroxybenzamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL302625; SCHEMBL13286803; BDBM50058812; N,N''-1,3-Propanediylbis(3,4,5-trihydroxybenzamide)Hydrate
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|
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| Activity |
IC50 = 269000 nM
|
[8] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethylbenzenesulfonamide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL611972; SCHEMBL13286823; BDBM50310306
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|
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| Activity |
IC50 > 300000 nM
|
[9] | |||
| Compound Name |
N,N''-Bis(3,4-dihydroxybenzenesulfonyl)piperazine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL597509; SCHEMBL13286817; BDBM50310312
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|
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| Activity |
IC50 > 300000 nM
|
[9] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethyl-3,4-dimethoxybenzenesulfonamide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL599342; SCHEMBL4177072; BDBM50310299; N-[2-[(3,4-dimethoxyphenyl)sulfonyl-ethylamino]ethyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
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| Activity |
IC50 > 300000 nM
|
[9] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethyl-2,5-dihydroxybenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL596860; SCHEMBL13286968; BDBM50310313
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|
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| Activity |
IC50 > 300000 nM
|
[9] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethyl-4-hydroxybenzenesulfonamide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL596859; SCHEMBL13286927; BDBM50310305
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|
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| Activity |
IC50 > 300000 nM
|
[9] | |||
| Compound Name |
US9120744, Cde-061
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669191; CHEMBL3669192; SCHEMBL13286802; SCHEMBL13286821; BDBM175546; BDBM175547; US9120744, CDE-062
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| Activity |
IC50 = 332000 nM
|
[8] | |||
| Compound Name |
US9120744, Cde-011
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669180; SCHEMBL13286742; BDBM175533
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| Activity |
IC50 = 338000 nM
|
[8] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(N-ethyl-3-hydroxybenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL597510; SCHEMBL13286885; BDBM50310304
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|
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| Activity |
IC50 = 343000 nM
|
[9] | |||
| Compound Name |
Boc-3-nitro-L-tyrosine
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Investigative | Compound Info | ||
| Synonyms |
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid; Boc-Tyr(3-NO2)-OH; N-Boc-3-nitrotyrosine; Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-; SCHEMBL2791359; CHEMBL3669182; CTK3G3149; BDBM175535; ZINC2379673; 6247AH; MFCD01321421; AKOS015836648; N-(tert-Butoxycarbonyl)-3-nitrotyrosine; tert-Butyloxycarbonyl-3-nitro-L-tyrosine; AS-10399; US9120744, CDE-028; N-alpha-(t-Butoxycarbonyl)-3-nitro-L-tyrosine
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| Activity |
IC50 = 386000 nM
|
[8] | |||
| Compound Name |
US9120744, Cde-065
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669188; SCHEMBL13286863; BDBM175543
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| Activity |
IC50 = 423000 nM
|
[8] | |||
| Compound Name |
N,N''-(Ethane-1,2-diyl)bis(3,4-dihydroxybenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL606451; SCHEMBL13286760; BDBM50310300
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|
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| Activity |
IC50 = 450000 nM
|
[8] | |||
| Compound Name |
US9120744, Cde-069
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669186; SCHEMBL13286784; BDBM175540
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|
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| Activity |
IC50 = 562000 nM
|
[8] | |||
| Compound Name |
Euglobal IIC
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL454050; SCHEMBL96141; BDBM50241607
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| Activity |
IC50 = 700000 nM
|
[10] | |||
| Compound Name |
N,N'-Ethylenebis(3,4,5-trihydroxybenzamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL292067; SCHEMBL13286830; BDBM50058816; N,N''-1,2-Ethanediylbis(3,4,5-trihydroxybenzamide)Hydrate
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|
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| Activity |
IC50 = 900000 nM
|
[8] | |||
| Compound Name |
N,N''-(Hexane-1,6-diyl)bis(3,4-dihydroxybenzenesulfonamide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL599769; SCHEMBL13286937; BDBM50310303
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| Activity |
IC50 = 1384000 nM
|
[9] | |||
| Compound Name |
US9120744, Cde-064
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3669185; SCHEMBL13286764; BDBM175539
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|
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| Activity |
IC50 = 2204000 nM
|
[8] | |||
| Compound Name |
N,N''-(Butane-1,4-diyl)bis(3,4-dihydroxybenzenesulfonamide)
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL611992; SCHEMBL13287068; BDBM50310302
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| Activity |
IC50 > 3000000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Design, synthesis and in vitro evaluation of potent, novel, small molecule inhibitors of plasminogen activator inhibitor-1. Bioorg Med Chem Lett. 2002 Apr 8;12(7):1063-6. | ||||
| REF 2 | Novel inhibitors of plasminogen activator inhibitor-1: development of new templates from diketopiperazines. Bioorg Med Chem Lett. 2002 Sep 2;12(17):2367-70. | ||||
| REF 3 | Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization. J Med Chem. 2004 Jul 1;47(14):3491-4. | ||||
| REF 4 | New fibrinolytic agents: benzothiophene derivatives as inhibitors of the t-PA-PAI-1 complex formation. Bioorg Med Chem Lett. 2003 May 19;13(10):1705-8. | ||||
| REF 5 | In vitro PAI-1 inhibitory activity of oxalamide derivatives. Eur J Med Chem. 2008 Apr;43(4):880-4. | ||||
| REF 6 | Synthesis and SAR of 2-carboxylic acid indoles as inhibitors of plasminogen activator inhibitor-1. Bioorg Med Chem Lett. 2005 Aug 1;15(15):3514-8. | ||||
| REF 7 | Discovery of inhibitors of plasminogen activator inhibitor-1: structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives. Bioorg Med Chem Lett. 2011 Oct 1;21(19):5701-6. | ||||
| REF 8 | US patent application no. 9120744B2, Plasminogen activator inhibitor-1 inhibitors and methods of use thereof to modulate lipid metabolism | ||||
| REF 9 | Novel bis-arylsulfonamides and aryl sulfonimides as inactivators of plasminogen activator inhibitor-1 (PAI-1). Bioorg Med Chem Lett. 2010 Feb 1;20(3):966-70. | ||||
| REF 10 | Sideroxylonal C, a new inhibitor of human plasminogen activator inhibitor type-1, from the flowers of Eucalyptus albens. J Nat Prod. 1999 Feb;62(2):324-6. | ||||
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