Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46040 | Target Info | |||
| Target Name | Coagulation factor XI (F11) | ||||
| Synonyms |
Plasma thromboplastin antecedent; PTA; FXI
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| Target Type | Clinical trial Target | ||||
| Gene Name | F11 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 42 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Hexamethylene amiloride
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|
Preclinical | Compound Info | ||
| Synonyms |
5-(N,N-Hexamethylene)amiloride; 5-HMA; BIDD; BSPBio_003443; C12H18ClN7O; DivK1c_006875; HMA; HMA-5; Hexamethyleneamiloride; KBioGR_001206; KBioSS_002076; Lopac-A-9561; Lopac0_000104; MLS002153208; N,N-HEXAMETHYLENEAMILORIDE; SPECTRUM1504215; SpecPlus_000779; Spectrum2_001669; Spectrum3_001662; Spectrum4_000623; Spectrum5_001388; Spectrum_001596
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Chembl4217043
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Investigative | Compound Info | ||
| Synonyms |
3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide; BDBM50459059; 30I
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| 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
|
[2] | |||
| 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
|
[2] | |||
| Compound Name |
2-[4-(Sulfooxy)phenyl]-3-[6-[4-[2-[4-(sulfooxy)phenyl]-4-oxo-3,4-dihydroquinazoline-3-ylmethyl]-1H-1,2,3-triazole-1-yl]hexyl]quinazoline-4(3H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326346; BDBM50427852
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| Activity |
IC50 = 52000 nM
|
[3] | |||
| Compound Name |
1-[2-(2-Tert-butylphenoxy)pyridin-3-yl]-3-[4-[2-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]urea
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2381898; BDBM50433784
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| Activity |
Ki ~ 55000 nM
|
[4] | |||
| Compound Name |
2-[4-(Sulfooxy)phenyl]-3-[5-[4-[2-[4-(sulfooxy)phenyl]-4-oxo-3,4-dihydroquinazoline-3-ylmethyl]-1H-1,2,3-triazole-1-yl]pentyl]quinazoline-4(3H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326345; BDBM50427853
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|
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| Activity |
IC50 = 59000 nM
|
[3] | |||
| Compound Name |
6-Chloro-2-hydroxyquinoline
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Investigative | Compound Info | ||
| Synonyms |
6-CHLOROQUINOLIN-2(1H)-ONE; 6-chloroquinolin-2-ol; 6-chloro-1H-quinolin-2-one; 2(1H)-Quinolinone, 6-chloro-; 2(1H)-Quinolinone,6-bromo-; CHEMBL3929492; NSC298323; ACMC-209ehd; Oprea1_085179; 6-chloro-2-hydroxy quinoline; SCHEMBL934918; CTK4D7797; DTXSID10315975; ACT09156; 6-Chloro-2-hydroxyquinoline, 97%; ANW-23039; ANW-48327; BDBM50197522; MFCD03427192; ZINC12959363; AKOS012936290; AKOS015850484; CS-W017247; MB02518; NSC-298323; AS-35582; BR-33799; AB0022963; FT-0682319; W3934; B-2542; J-011557; J-518520; Q27451420
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| Activity |
Ki = 70000 nM
|
[5] | |||
| Compound Name |
4-Aminomethylphenylboronic acid hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
4-(aminomethyl)phenylboronic acid hydrochloride; 4-aminomethylphenylboronic acid hcl; 4-aminomethylphenylboronic acid, hcl; 4-(aminomethyl)benzeneboronic acid hydrochloride; MFCD01632199; [4-(aminomethyl)phenyl]boronic acid;hydrochloride; (4-aminomethylphenyl)boronic acid hydrochloride; (4-(aminomethyl)phenyl)boronic acid hydrochloride; Boronic acid, [4-(aminomethyl)phenyl]-, hydrochloride; 4-Aminomethylbenzeneboronic acid hydrochloride; 4-aminomethylphenylboronic acid, hydrochloride; PubChem5251; PubChem7897; 4-(Aminomethyl)phenylboronicacidhydrochloride; SCHEMBL721501; CHEMBL2448389; CTK8B2279; DTXSID70370202; KS-000000PH; ANW-36661; SBB003689; AKOS015847662; AB09461; AM87175; PS-9499; 4-aminomethylphenylboronic acid HCL salt; AC-17495; SC-62550; SY024048; AB0014807; DB-009536; A9621; CS-0042868; FT-0617580; 4-aminomethyl-phenylboronic acid hydrochloride; 4-aminomethylphenyl boronic acid hydrochloride; 4-(Aminomethyl)benzeneboronic acid hydrochlorid; A-3740; A15610; (4-aminomethylphenyl)boronic acid, hydrochloride; 4-(aminomethyl)-phenylboronic acid hydrochloride; [4-(aminomethyl)phenyl]-boronic acid hydrochloride; 4-aminomethylphenyl boronic acid hydrochloride salt; 4-Aminomethylphenylboronic acid hydrochloride, 96%; J-514433; 4-aminomethylphenylboronic acid, hydrochloride, AldrichCPR
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|
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| Activity |
IC50 = 77300 nM
|
[6] | |||
| Compound Name |
2-[4-(Sulfooxy)phenyl]-3-[4-[4-[2-[4-(sulfooxy)phenyl]-4-oxo-3,4-dihydroquinazoline-3-ylmethyl]-1H-1,2,3-triazole-1-yl]butyl]quinazoline-4(3H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326343; BDBM50427855
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|
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| Activity |
IC50 = 82000 nM
|
[3] | |||
| Compound Name |
Naphthalene-2-sulfonic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL207052; BDBM50183930
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|
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| Activity |
IC50 = 86000 nM
|
[7] | |||
| Compound Name |
Sodium;[3-ethoxycarbonyl-2-[[3-ethoxycarbonyl-2-[(3-ethoxycarbonyl-6-methoxy-2-methyl-1-benzofuran-5-yl)oxymethyl]-6-methoxy-1-benzofuran-5-yl]oxymethyl]-1H-indol-5-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359904
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|
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| Activity |
IC50 = 86900 nM
|
[8] | |||
| Compound Name |
[4-[4-Oxo-3-[5-[5-[[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]pentyl]quinazolin-2-yl]phenyl] hydrogen sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326355; SCHEMBL18176623; BDBM50427843
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|
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| Activity |
IC50 = 90000 nM
|
[3] | |||
| Compound Name |
[4-[4-Oxo-3-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326344; BDBM50427854
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|
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| Activity |
IC50 = 91000 nM
|
[3] | |||
| Compound Name |
Sodium;[3-ethoxycarbonyl-2-[[3-ethoxycarbonyl-2-[[3-ethoxycarbonyl-2-[(3-ethoxycarbonyl-6-methoxy-2-methyl-1-benzofuran-5-yl)oxymethyl]-6-methoxy-1-benzofuran-5-yl]oxymethyl]-6-methoxy-1-benzofuran-5-yl]oxymethyl]-6-methoxy-1-benzofuran-5-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2396792; BDBM50011531
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|
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| Activity |
IC50 = 99000 nM
|
[9] | |||
| 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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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| 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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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| 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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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| 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
|
[10] | |||
| Compound Name |
[3-[4-Oxo-3-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326078; BDBM50427860
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|
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| Activity |
IC50 = 102000 nM
|
[3] | |||
| Compound Name |
(2S)-N-[(5-Chloro-2-prop-2-enyl-1H-indol-3-yl)methyl]-2-[[(2R)-2-cyclohexyl-2-(pent-4-enoylamino)acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1290074; BDBM50331667
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|
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| Activity |
IC50 = 103100 nM
|
[11] | |||
| Compound Name |
N-[(6-Amino-2-methylpyridin-3-yl)methyl]-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3884830; BDBM50210072
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|
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| Activity |
IC50 = 106000 nM
|
[12] | |||
| Compound Name |
Disodium;[2-[2-[3,5-dicyano-6-nitro-4-(4-phenoxyphenyl)pyridin-2-yl]sulfanylacetyl]-6-sulfonatooxyphenyl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3262556; BDBM50011532
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|
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| Activity |
IC50 = 109000 nM
|
[9] | |||
| Compound Name |
Sodium;[2-[(2-benzyl-3-ethoxycarbonyl-6-methoxy-1-benzofuran-5-yl)oxymethyl]-3-ethoxycarbonyl-1H-indol-5-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359902
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| Activity |
IC50 = 118000 nM
|
[8] | |||
| Compound Name |
Chembl2332610
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2448530; BDBM50431220
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| Activity |
Ki ~ 120000 nM
|
[13] | |||
| Compound Name |
Chembl2332604
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2448529; BDBM50431213
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| Activity |
Ki ~ 120000 nM
|
[13] | |||
| Compound Name |
Benzamidine hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
Benzimidamide hydrochloride; BENZAMIDINE HCL; Benzenecarboximidamide, monohydrochloride; Benzenecarboximidamide hydrochloride; Benzamidinium chloride; Benzamidine, hydrochloride; Amidinobenzene hydrochloride; Benzamidine, monohydrochloride; Amidinobenzene hydrochloride (1:1); UNII-0G112W4L27; Benzamidine (hydrochloride); Benzamidine monohydrochloride; Benzenecarboximidamide, hydrochloride (1:1); benzenecarboximidamide;hydrochloride; MFCD00013025; 0G112W4L27; hydrochloride (1:1)benzenecarboximidamide; benzenecarboxamidine, chloride; CHEMBL537204; Benzamidine hydrochloride, 99%; NSC 2020; EINECS 216-795-4; AI3-52285; Benzamidine, HCl; benzamidine HCl salt; ACMC-1C7G5; DSSTox_CID_24401; DSSTox_RID_80202; Benzenecarboximidamide, monohydrochloride, hydrate; DSSTox_GSID_44401; SCHEMBL61379; benzamidine hydrochloride salt; KSC231K0H; DTXSID9044401; CTK1D1503; NSC2020; benzenecarboximidamine hydrochloride; BCP26588; KS-000002OY; NSC-2020; Benzenecarboximidamide, hydrochloride; Tox21_302165; Tox21_500203; ANW-22249; HTS004776; s4956; SBB055093; AKOS008071554; Benzamidine hydrochloride 1 M solution; AC-8712; BS-3865; CCG-221507; CS-W019567; HY-W018781; LP00203; LS10719; MCULE-1587481203; VA10382; NCGC00093677-01; NCGC00255862-01; NCGC00260888-01; AK-47930; BP-21162; SC-19783; ST001862; SY035738; Benzenecarboximidamide hydrochloride (1:1); AB0015009; DB-022545; B0013; EU-0100203; FT-0622632; AZ0001-0498; EN300-23861; B 6506; SR-01000075722; Q-101108; SR-01000075722-1; Q27236733; F0001-0609
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| Activity |
IC50 = 120000 nM
|
[6] | |||
| Compound Name |
Disodium;[4-[[3-[1,3-dioxo-5-[(4-sulfonatooxyphenyl)carbamoyl]isoindol-2-yl]benzoyl]amino]phenyl] sulfate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3262557; BDBM50011533
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| Activity |
IC50 = 122000 nM
|
[9] | |||
| Compound Name |
N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL380455; BDBM50183936; (S)-5-(Amidinoamino)-2-(3-methylbutyrylamino)-1-(2-thiazolyl)-1-pentanone
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| Activity |
IC50 = 123000 nM
|
[7] | |||
| Compound Name |
Sodium;[2-[[6-methoxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-1-benzofuran-5-yl]oxymethyl]-1,3-benzothiazol-6-yl] sulfate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359897
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| Activity |
IC50 = 124000 nM
|
[8] | |||
| Compound Name |
304L Stainless Steel powder
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL542435
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| Activity |
IC50 ~ 133000 nM
|
[14] | |||
| Compound Name |
(1R,6S,8S,8As)-6-amino-N-[(4-carbamimidoylphenyl)methyl]-1-ethyl-8-methoxy-6-(2-methylprop-2-enyl)-5-oxo-1,2,3,7,8,8a-hexahydroindolizine-3-carboxamide;(E)-but-2-enedioic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1160757
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| Activity |
IC50 ~ 133000 nM
|
[14] | |||
| Compound Name |
(1R,6S,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 |
CHEMBL544558
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| Activity |
IC50 ~ 133000 nM
|
[14] | |||
| Compound Name |
(3E,6S,9R,12S)-19-Chloro-9-cyclohexyl-12-(2-methylpropyl)-6-phenyl-8,11,14,23-tetrazatricyclo[14.7.0.017,22]tricosa-1(16),3,17(22),18,20-pentaene-7,10,13-trione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1288926; BDBM50331665
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| Activity |
IC50 = 135800 nM
|
[11] | |||
| Compound Name |
[2-Methoxy-4-[3-[[1-[4-[2-(3-methoxy-4-sulfooxyphenyl)-4-oxoquinazolin-3-yl]butyl]triazol-4-yl]methyl]-4-oxoquinazolin-2-yl]phenyl] hydrogen sulfate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326080; BDBM50427858
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| Activity |
IC50 = 139000 nM
|
[3] | |||
| Compound Name |
(2S)-N-[(5-Chloro-2-prop-2-enyl-1H-indol-3-yl)methyl]-2-[[(2R)-2-cyclohexyl-2-[[(2S)-2-phenylpent-4-enoyl]amino]acetyl]amino]-4-methylpentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1288925; BDBM50331666
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| Activity |
IC50 = 145900 nM
|
[11] | |||
| 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
|
[15] | |||
| Compound Name |
[3-[3-[4-[4-[[2-(3-Hydroxy-5-sulfooxyphenyl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326079; BDBM50427859
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|
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| Activity |
IC50 = 153000 nM
|
[3] | |||
| Compound Name |
[3-[4-Oxo-3-[[1-[4-[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326342; BDBM50427856
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|
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| Activity |
IC50 = 159000 nM
|
[3] | |||
| Compound Name |
(9R,12S)-19-Chloro-9-cyclohexyl-12-(2-methylpropyl)-7,7-dioxo-7lambda6-thia-8,11,14,23-tetrazatricyclo[14.7.0.017,22]tricosa-1(16),17(22),18,20-tetraene-10,13-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289978; BDBM50331672
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|
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| Activity |
IC50 = 175900 nM
|
[11] | |||
| Compound Name |
Octasodium;[2-(3,4-disulfonatooxyphenyl)-5-[[4-[[2-(3,4-disulfonatooxyphenyl)-4-oxo-3,7-disulfonatooxychromen-5-yl]oxymethyl]phenyl]methoxy]-4-oxo-3-sulfonatooxychromen-7-yl] sulfate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4084933; BDBM50260048
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|
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| Activity |
IC50 = 180000 nM
|
[16] | |||
| Compound Name |
[2-Methoxy-4-[4-oxo-3-[4-[4-[[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]butyl]quinazolin-2-yl]phenyl] hydrogen sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326347; BDBM50427851
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| Activity |
IC50 = 182000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 18 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Naphthalene-2-carboxylic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL383007; BDBM50183944
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[7] | |||
| Compound Name |
2-(3,4-Dihydroxyphenyl)-5-[[4-[[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxochromen-5-yl]oxymethyl]phenyl]methoxy]-3,7-dihydroxychromen-4-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4069227; BDBM50260050
Click to Show/Hide
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||||
| Activity |
IC50 = 208000 nM
|
[16] | |||
| Compound Name |
[3-[3-[4-[4-[[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]phenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326348; BDBM50427850
Click to Show/Hide
|
||||
| Activity |
IC50 = 213000 nM
|
[3] | |||
| Compound Name |
[2-Methoxy-4-[3-[4-[4-[[5-(5-methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]phenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326352; BDBM50427846
Click to Show/Hide
|
||||
| Activity |
IC50 = 216000 nM
|
[3] | |||
| Compound Name |
Sodium;[3-ethoxycarbonyl-2-[(3-ethoxycarbonyl-2-methyl-1H-indol-5-yl)oxymethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl] sulfate
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359903
Click to Show/Hide
|
||||
| Activity |
IC50 = 220000 nM
|
[8] | |||
| Compound Name |
Naphthalene-1-sulfonic acid [(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208645; BDBM50183928
Click to Show/Hide
|
||||
| Activity |
IC50 = 250000 nM
|
[7] | |||
| Compound Name |
N-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-naphthalen-1-yl-acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL378011; BDBM50183945
Click to Show/Hide
|
||||
| Activity |
IC50 > 250000 nM
|
[7] | |||
| Compound Name |
[3-[3-[4-[4-[[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326349; BDBM50427849
Click to Show/Hide
|
||||
| Activity |
IC50 = 273000 nM
|
[3] | |||
| Compound Name |
[4-[4-Oxo-3-[[1-[2-[4-[[4-oxo-2-(4-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]ethyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326354; SCHEMBL15700029; BDBM50427844
Click to Show/Hide
|
||||
| Activity |
IC50 = 305000 nM
|
[3] | |||
| Compound Name |
[3-[4-Oxo-3-[3-[4-[[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]methyl]triazol-1-yl]propyl]quinazolin-2-yl]phenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326341; BDBM50427857
Click to Show/Hide
|
||||
| Activity |
IC50 = 320000 nM
|
[3] | |||
| Compound Name |
5-[[3-Ethoxycarbonyl-5-[(3-ethoxycarbonyl-5-hydroxy-6-methoxy-1-benzofuran-2-yl)methoxy]-6-methoxy-1-benzofuran-2-yl]methoxy]-6-methoxy-2-methyl-1-benzofuran-3-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2396789; BDBM50011529
Click to Show/Hide
|
||||
| Activity |
IC50 = 384000 nM
|
[9] | |||
| Compound Name |
[3-[3-[4-[4-[[5-(5-Methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-sulfooxyphenoxy]methyl]triazol-1-yl]butyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326353; BDBM50427845
Click to Show/Hide
|
||||
| Activity |
IC50 = 407000 nM
|
[3] | |||
| Compound Name |
(3R)-2-[2-(4-Chlorophenyl)acetyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2040983; BDBM50386271
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[17] | |||
| Compound Name |
(3E,9R,12S)-19-Chloro-9-cyclohexyl-12-(2-methylpropyl)-7,7-dioxo-7lambda6-thia-8,11,14,23-tetrazatricyclo[14.7.0.017,22]tricosa-1(16),3,17(22),18,20-pentaene-10,13-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1289860; BDBM50331668
Click to Show/Hide
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||||
| Activity |
IC50 = 767800 nM
|
[11] | |||
| Compound Name |
Mupain-1
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3734777; BDBM50499239
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[18] | |||
| Compound Name |
[3-[3-[[1-[4-[2-(3,5-Disulfooxyphenyl)-4-oxoquinazolin-3-yl]butyl]triazol-4-yl]methyl]-4-oxoquinazolin-2-yl]-5-sulfooxyphenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326350; BDBM50427848
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[3] | |||
| Compound Name |
[3-[4-Oxo-3-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methyl]quinazolin-2-yl]phenyl] acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326077; BDBM50427861
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[3] | |||
| Compound Name |
[4-(5-Methoxy-4-oxo-3,7-disulfooxychromen-2-yl)-2-[[1-[4-[4-oxo-2-(3-sulfooxyphenyl)quinazolin-3-yl]butyl]triazol-4-yl]methoxy]phenyl] hydrogen sulfate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2326351; BDBM50427847
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 2 | 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. | ||||
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| REF 5 | Fragment-to-Lead Medicinal Chemistry Publications in 2015. J Med Chem. 2017 Jan 12;60(1):89-99. | ||||
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| REF 8 | A simple, general approach of allosteric coagulation enzyme inhibition through monosulfated hydrophobic scaffolds. Bioorg Med Chem Lett. 2014 Dec 15;24(24):5716-5720. | ||||
| REF 9 | Allosteric inhibition of human factor XIa: discovery of monosulfated benzofurans as a class of promising inhibitors. J Med Chem. 2014 Apr 24;57(8):3559-69. | ||||
| REF 10 | 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 11 | Design and synthesis of macrocyclic indoles targeting blood coagulation cascade Factor XIa. Bioorg Med Chem Lett. 2010 Dec 1;20(23):6925-8. | ||||
| REF 12 | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors. ACS Med Chem Lett. 2016 Dec 6;8(2):185-190. | ||||
| REF 13 | Development of a selective peptide macrocycle inhibitor of coagulation factor XII toward the generation of a safe antithrombotic therapy. J Med Chem. 2013 May 9;56(9):3742-6. | ||||
| REF 14 | 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 15 | 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 16 | Potent, Selective, Allosteric Inhibition of Human Plasmin by Sulfated Non-Saccharide Glycosaminoglycan Mimetics. J Med Chem. 2017 Jan 26;60(2):641-657. | ||||
| REF 17 | Potent direct inhibitors of factor Xa based on the tetrahydroisoquinoline scaffold. Eur J Med Chem. 2012 Aug;54:771-83. | ||||
| REF 18 | 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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