Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T03917 | Target Info | |||
| Target Name | Sodium/potassium-transporting ATPase (SPT ATPase) | ||||
| Synonyms |
Na(+)/K(+) ATPase
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|
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| Target Type | Successful Target | ||||
| Gene Name | ATP1A1; ATP1A2; ATP1A3; ATP1B1; ATP1B2; ATP1B3 | ||||
| Biochemical Class | Acid anhydrides hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 77 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Pantoprazole
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|
Approved | Compound Info | ||
| Synonyms |
Astropan; Pantoprazol; Pantoprazolum; Pantoprozole; Pantor; Pantozol; Protium; Protonix; Somac; Pantoprazole Na; Pantoprazole Sodium; Protonix IV; BY 1023; Astropan (TN); BY-1023; Controloc (TN); Inipomp (TN); Pantecta (TN); Pantoloc (TN); Pantopan (TN); Pantoprazol [INN-Spanish]; Pantoprazolum [INN-Latin]; Pantor (TN); Pantotab (TN); Pantozol (TN); Protium (TN); Protonix (TN); SK&F 96022; SK-96022; SKF-96022; Somac (TN); Ulcepraz (TN); Pantoprazole (USAN/INN); Pantoprazole [USAN:BAN:INN]; SK&F-96022; 5-(Difluoromethoxy)-2-(((3,4-dimethoxy-2-pyridyl)methyl)sulfinyl)benzimidazole; 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole; 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
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|
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| Activity |
IC50 = 199526.23 nM
|
[1] | |||
| Compound Name |
32,33-Dihydro-31-hydroxymanzamine A
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|
Preclinical | Compound Info | ||
| Synonyms |
CHEMBL504908; BDBM50270503
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|
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| Activity |
IC50 ~ 150000 nM
|
[2] | |||
| Compound Name |
3,4-dihydroxyxanthone
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|
Investigative | Compound Info | ||
| Synonyms |
3,4-Dihydroxyxanthone; 3,4-Dihydroxy-xanthone; 3,4-dihydroxyxanthen-9-one; CHEMBL446323; 39731-48-1; AC1NX8OR; SCHEMBL133422; 3,4-dihydroxy-xanthen-9-one; CTK4I1796; DTXSID20192815; YFVCSEXMOBEPQB-UHFFFAOYSA-N; 3,4-dihydroxy-9H-xanthen-9-one; 9H-Xanthen-9-one,3,4-dihydroxy-; ZINC15119047; BDBM50269645; 9H-Xanthen-9-one, 3,4-dihydroxy-
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|
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
CID 10904400
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL65127; SCHEMBL7306357
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|
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| Activity |
IC50 = 50000 nM
|
[4] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[[2-(Dimethylamino)ethoxyamino]methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol;dihydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069065
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|
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| Activity |
IC50 = 50000 nM
|
[5] | |||
| Compound Name |
5-Difluoromethoxy-2-[(4-methoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL10060; SCHEMBL9531169; BDBM50230616; SC-14061; 5-(DIFLUOROMETHOXY)-2-[[(3,4-DIMETHOXY-2-PYRIDINYL; 6-(difluoromethoxy)-2-[(4-methoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
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| Activity |
IC50 = 50118.72 nM
|
[1] | |||
| Compound Name |
5-(2,2,2-Trifluoroethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL9992; SCHEMBL6458260; BDBM50230615; 2-[(4,5-dimethoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-(2,2,2-trifluoroethoxy)-1H-benzimidazole
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|
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| Activity |
IC50 = 50118.72 nM
|
[1] | |||
| Compound Name |
1-Methyl-2-(alpha-methylbenzylamino)-5-(3,5-difluorophenyl)-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL416968
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|
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| Activity |
IC50 = 52000 nM
|
[6] | |||
| Compound Name |
1,3,5,6-Tetrahydroxyxanthone
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Investigative | Compound Info | ||
| Synonyms |
1,3,5,6-Tetrahydroxyxanthen-9-one; 1,3,5,6-TETRAHYDROXY-9H-XANTHEN-9-ONE; 1,3,5,6-Tetrahydroxyxantone; CHEMBL448040; SCHEMBL2313484; CTK1G5962; DTXSID80420484; BDBM50292547; ZINC14764374; 9H-Xanthen-9-one, 1,3,5,6-tetrahydroxy-
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|
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
1-Methyl-2-[[(S)-alpha-methylbenzyl]amino]-5-phenyl-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38948
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|
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| Activity |
IC50 = 61000 nM
|
[6] | |||
| Compound Name |
CID 10980156
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL66256; SCHEMBL7306957
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| Activity |
IC50 = 63000 nM
|
[4] | |||
| Compound Name |
2-[(4,5-Dimethoxy-3-methyl-2-pyridyl)methylsulfinyl]-5-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL10061; SCHEMBL6884528; BDBM50230609
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|
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| Activity |
IC50 = 63095.73 nM
|
[1] | |||
| Compound Name |
1,3,5-Trihydroxyxanthone
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|
Investigative | Compound Info | ||
| Synonyms |
1,3,5-trihydroxy-9H-xanthen-9-one; CHEMBL365234; 1,3,5-Trihydroxyxanthen-9-one; C10094; AC1NQYUD; Xanthen-9-one, 1.4; SureCN4743861; SCHEMBL4743861; DTXSID00415170; 1,3,5-Trihydroxy-xanthen-9-one; ZINC6567315; BDBM50155436; Q27105308
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|
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| Activity |
IC50 = 65000 nM
|
[3] | |||
| Compound Name |
1-Methyl-2-(alpha-sec-butylbenzylamino)-5-phenyl-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL39602
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|
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| Activity |
IC50 = 77000 nM
|
[6] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[(Methoxyamino)methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol;oxalic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068974
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|
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| Activity |
IC50 = 79000 nM
|
[5] | |||
| Compound Name |
1-Methyl-2-(alpha-methylbenzylamino)-5-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL290808
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|
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| Activity |
IC50 = 88000 nM
|
[6] | |||
| Compound Name |
1-Methyl-2-(alpha-methylbenzylamino)-5-(3,4-dimethoxyphenyl)-1H-imidazole
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL39946
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|
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| Activity |
IC50 = 99000 nM
|
[6] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-[2-(Dimethylamino)ethoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068907
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Phekellistatin 2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL499175; cyclo(Tyr-Pro-Phe-Pro-Ile-Ile-Pro)
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[[2-[(1R,2R,3R)-2-[6-Hydroxy-7-methyl-5-oxo-3-[(1R,3S,11R,12R,15R,16R)-3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl]cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl]amino]ethanesulfonic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2419839
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Gukulenin A
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1098258
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Carteritin A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4162584; J3.543.085G
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(1S,3As,5S,7aR)-5-(cyclohexylmethyl)-1-[(E)-2-(dimethylamino)ethoxyiminomethyl]-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL63314
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|
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| Activity |
IC50 = 100000 nM
|
[4] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-(2-Aminoethoxyimino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068905
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-[3-(Dimethylamino)propoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069038
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Chembl4169045
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|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Chembl4162176
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|
Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[3-(Methoxyamino)propyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol;hydrochloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069064
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(1S,3As,5S,7aR)-5-benzyl-1-[(E)-2-(dimethylamino)ethoxyiminomethyl]-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL302839
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Cyclonellin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL508767; NSC731582; NSC-731582
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
N-[(1R,2R)-2-Hydroxy-2-[(1R,2R,3R)-2-[6-hydroxy-7-methyl-5-oxo-3-[(1R,3S,11R,12R,15R,16R)-3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl]cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-1-methoxyethyl]acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2419837
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
1,3-Dihydroxy-9H-xanthen-9-one
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Investigative | Compound Info | ||
| Synonyms |
1,3-Dihydroxyxanthone; 1,3-dihydroxyxanthen-9-one; 1,3-Dihydroxy-xanthone; 9H-Xanthen-9-one,1,3-dihydroxy-; 9H-Xanthen-9-one, 1,3-dihydroxy-; CHEMBL388525; SCHEMBL2314333; CTK4I0432; DTXSID00192030; BDBM174832; HMS3468P10; ALBB-015550; ZINC6117594; 2276AE; MFCD00800670; STL466245; AKOS004938955; MCULE-6377421589; US9114126, MB1; NS-02897; D5344; R3833
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
CID 11036723
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL63004; SCHEMBL7309346
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
N-[(1R,2R)-1,2-Dihydroxy-2-[(1R,2R,3R)-2-[6-hydroxy-7-methyl-5-oxo-3-[(1R,3S,11R,12R,15R,16R)-3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl]cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]ethyl]acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2419838
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|
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
1,2,3,7-Tetramethoxyxanthone
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Investigative | Compound Info | ||
| Synonyms |
1,2,3,7-tetramethoxyxanthen-9-one; CHEMBL3704821; SCHEMBL14252988; BDBM174837; HY-N4293; ZINC3782680; AKOS037515055; 1,2,3,7-Tetramethoxy-9H-xanthen-9-one; CS-0032656; US9114126, C-017
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-[(Z)-[(E)-3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]prop-2-enylidene]amino]oxyacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069055
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
2-[(Z)-[(1S,3As,5S,7aR)-3a-hydroxy-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl]methylideneamino]guanidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL62644; SCHEMBL7298980
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Phakellistatin 11
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Investigative | Compound Info | ||
| Synonyms |
phakelli statin 11; CHEMBL444775; SCHEMBL8573117
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3,4,6-Trimethoxyxanthen-9-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3704819; BDBM174834; US9114126, MB8
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
Gentiacaulein
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Investigative | Compound Info | ||
| Synonyms |
2,6-dimethoxyxanthone; Getiacaulein; 2,8-dihydroxy-1,6-dimethoxyxanthone; NSC661743; MLS000563494; 2,8-Dihydroxy-1,6-dimethoxy-9H-xanthen-9-one; 2,8-dihydroxy-1,6-dimethoxy-xanthen-9-one; AC1NQYS1; 2,8-dihydroxy-1,6-dimethoxyxanthen-9-one; CHEMBL467590; DTXSID10415161; BDBM174835; HMS2227I16; HMS3338N03; 1,7-dihydroxy-3,8-dimethoxyxanthone; NSC-661743; SMR000232301; US9114126, 2027BA1; C10064; Q27106712
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(1S,3Ar,7aR)-1-[(E)-3-aminopropoxyiminomethyl]-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL65932
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|
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Phakellistatin 8
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4161118
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Chembl4167889
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Investigative | Compound Info | ||
| Synonyms |
Cyclo(L-Ile-L-Pro-L-Tyr-L-Asp-L-Pro-L-Leu-L-Ala-)
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]oxyacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068900
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|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-[4-(Dimethylamino)butoxyimino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069041
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-[[2-(Dimethylamino)ethoxy-methylamino]methyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol;oxalic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068982
Click to Show/Hide
|
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| Activity |
IC50 ~ 100000 nM
|
[5] | |||
| Compound Name |
Chembl4177305
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(1S,3As,5R,7aR)-1-[(E)-2-(dimethylamino)ethoxyiminomethyl]-7a-methyl-5-phenyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL293249
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| Activity |
IC50 ~ 100000 nM
|
[4] | |||
| Compound Name |
Chembl4165612
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
[(1R)-1-[(1R,2R,3R)-2-[3-[(Z)-2-[(1R,3Ar,4R,5R,10bR)-4,5,9-trihydroxy-3a,10-dimethyl-8-oxo-1-propan-2-yl-1,2,3,4,5,10b-hexahydrocyclohepta[e]inden-6-yl]-1-hydroxyethenyl]-6-hydroxy-7-methyl-5-oxocyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl] acetate
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2419840
Click to Show/Hide
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
Chembl4177352
Click to Show/Hide
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-[(2Z)-2-(3-Aminopropoxyimino)ethylidene]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069107
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| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Compound Name |
1,8-Dihydroxy-2,6-dimethoxy-9H-xanthen-9-one
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Investigative | Compound Info | ||
| Synonyms |
Methylswertianin; Swertiaperennin; 2-O-Methylswertianin; 1,8-Dihydroxy-2,6-dimethoxyxanthen-9-one; Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy-; BRN 1351740; 1,8-Dihydroxy-2,6-dimethoxyxanthone; Swertiaperrenin; CHEMBL3704820; SCHEMBL18240046; DTXSID50176709; BDBM174836; HY-N1995; ZINC6018929; 7996AH; MFCD01741509; 1,8-dihydroxy-3,7-dimethoxyxanthone; AKOS016013391; 1,8-dihydroxy-2,6-dimethoxy-xanthen-9-one; CS-0018316; FT-0698038; US9114126, 2027BA2; C10083; 9H-Xanthen-9-one,1,8-dihydroxy-2,6-dimethoxy-; Q-100281; Q27105429; 9H-Xanthen-9-one, 1,8-dihydroxy-2,6-dimethoxy- (9CI)
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| Activity |
IC50 ~ 100000 nM
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[3] | |||
| Compound Name |
Carteritin B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4173730; J3.543.086E
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
Chembl4127657
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270502
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| Activity |
IC50 = 110000 nM
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[2] | |||
| Compound Name |
2-((2E,7E)-3,7-Dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL484372; BDBM50274474; Q27137618
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| Activity |
IC50 = 117000 nM
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[9] | |||
| Compound Name |
Chembl4129975
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Investigative | Compound Info | ||
| Activity |
IC50 = 120000 nM
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[2] | |||
| Compound Name |
Chembl4165304
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4174403
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4166491
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4165012
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4175918
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4161867
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4172515
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 128000 nM
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[10] | |||
| Compound Name |
Chembl4126708
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270508
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
(1R,3R,4S,8R,9S,12Z,21R,22R,24R,26S,30R,31S,34Z,43R,44R,48R)-50,55-Bis(9H-pyrido[3,4-b]indol-1-yl)-2,25-dioxa-7,18,29,40-tetrazaundecacyclo[24.19.3.23,24.29,21.231,43.118,22.140,44.01,29.07,24.08,22.030,44]hexapentaconta-12,34,50,55-tetraene-4,9,31,48-tetrol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3299035; BDBM50270506
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4129036
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Investigative | Compound Info | ||
| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4125739
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270505
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4130120
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270500
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4128757
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270496
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Manzamine A
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL403233; MANZAMINE; CHEMBL326531; SCHEMBL14377624; BDBM50232478; Q27135285
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
(3-Methylimidazol-4-yl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4129412; SCHEMBL6261889; BDBM50270509; Methanone, (1-methyl-1H-imidazol-5-yl)-9H-pyrido[3,4-b]indol-1-yl-
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4129026
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270504
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4126285
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Investigative | Compound Info | ||
| Synonyms |
BDBM50270501
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
Chembl4129558
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Investigative | Compound Info | ||
| Synonyms |
Xestomanzamine B; BDBM50270507
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| Activity |
IC50 ~ 150000 nM
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[2] | |||
| Compound Name |
5-(1,1,2,2-Tetrafluoroethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9638; SCHEMBL6871825; BDBM50230603; 2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-6-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole
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| Activity |
IC50 = 158489.32 nM
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[1] | |||
| Compound Name |
(3S,5R,8R,9S,10S,13R,14S,17E)-17-[(2E)-2-[3-(Dimethylamino)propoxyimino]ethylidene]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,14-diol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2068906
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| Activity |
IC50 = 160000 nM
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[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 11 non binders) | Download | Top | |||
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| Compound Name |
1-[(5R,8R,9S,10S,13R,14R,17S)-14-Hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3085499
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| Activity |
IC50 > 200000 nM
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[11] | |||
| Compound Name |
5-Difluoromethoxy-6-methoxy-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9694; SCHEMBL6879943; BDBM50230618; 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-5-methoxy-1H-benzimidazole
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| Activity |
IC50 = 251188.64 nM
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[1] | |||
| Compound Name |
2,2-Difluoro-6-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-5H-1,3-dioxolo[4,5-f]benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9800; SCHEMBL6883674; BDBM50230617; 6-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
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| Activity |
IC50 = 251188.64 nM
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[1] | |||
| Compound Name |
5-(2,2,2-Trifluoroethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL273395; SCHEMBL6879313; BDBM50230605; 2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-6-(2,2,2-trifluoroethoxy)-1H-benzimidazole
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| Activity |
IC50 = 316227.77 nM
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[1] | |||
| Compound Name |
5-Difluoromethoxy-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9786; SCHEMBL2873599; BDBM50230582; 6-(difluoromethoxy)-2-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-1H-benzimidazole
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| Activity |
IC50 > 316227.77 nM
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[1] | |||
| Compound Name |
6-Fluoro-5-difluoromethoxy-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9845; BDBM50230612
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| Activity |
IC50 = 398107.17 nM
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[1] | |||
| Compound Name |
1-[(17S)-3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL59776
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| Activity |
IC50 > 400000 nM
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[12] | |||
| Compound Name |
2,2-Difluoro-6-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-5H-1,3-dioxolo[4,5-f]benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9768; SCHEMBL6882120; BDBM50230619; 2,2-Difluoro-6-[(4,5-dimethoxy-2-pyridyl)methylsulfinyl]-5H-[1,3]-dioxolo[4,5-f]benzimidazole; 6-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
2,2-Difluoro-6-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5H-1,3-dioxolo[4,5-f]benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9658; SCHEMBL6879443; BDBM50230614
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
2-[(4,5-Dimethoxy-2-pyridyl)methylsulfinyl]-5-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL10070; SCHEMBL6882608; BDBM50230604; 2-[(4,5-dimethoxypyridin-2-yl)methylsulfinyl]-6-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole; 5-(1,1,2,2-Tetrafluoroethoxy)-2-[(4,5-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
2,2-Difluoro-6-[(4-methoxy-2-pyridinyl)methylsulfinyl]-5H-1,3-dioxolo[4,5-f]benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL9959; SCHEMBL6475444; BDBM50230583; 2,2-Difluoro-6-[(4-methoxy-2-pyridyl)methylsulfinyl]-5H-[1,3]-dioxolo[4,5-f]benzimidazole; 2,2-difluoro-6-[(4-methoxypyridin-2-yl)methylsulfinyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | (H+,K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 4. A novel series of dimethoxypyridyl-substituted inhibitors with enhanced selectivity. The selection of pantoprazole as a clinical candidate. J Med Chem. 1992 Mar 20;35(6):1049-57. | ||||
| REF 2 | Manzamine Alkaloids from an Acanthostrongylophora sp. Sponge. J Nat Prod. 2017 May 26;80(5):1575-1583. | ||||
| REF 3 | US patent application no. 9114126B2, Na/K-ATPase ligands, ouabain antagonists, assays and uses thereof | ||||
| REF 4 | Synthesis and inotropic activity of 1-(O-aminoalkyloximes) of perhydroindene derivatives as simplified digitalis-like compounds acting on the Na(+),K(+)-ATPase. J Med Chem. 2002 Jan 3;45(1):189-207. | ||||
| REF 5 | 17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity r... J Med Chem. 2000 Jun 15;43(12):2332-49. | ||||
| REF 6 | Parallel synthesis and evaluation of N-(1-phenylethyl)-5-phenyl-imidazole-2-amines as Na+/K+ ATPase inhibitors. Bioorg Med Chem Lett. 2000 Jul 17;10(14):1543-5. | ||||
| REF 7 | Cyclopeptides from the Sponge Stylissa flabelliformis. J Nat Prod. 2018 Jun 22;81(6):1426-1434. | ||||
| REF 8 | Cytotoxic diterpenoid pseudodimers from the Korean sponge Phorbas gukhulensis. J Nat Prod. 2013 Sep 27;76(9):1679-85. | ||||
| REF 9 | Sesterterpenes from the tropical sponge Coscinoderma sp. J Nat Prod. 2011 Aug 26;74(8):1805-11. | ||||
| REF 10 | Polyoxygenated Steroids from the Sponge Clathria gombawuiensis. J Nat Prod. 2017 Dec 22;80(12):3224-3233. | ||||
| REF 11 | Pregnanes that bind to the digitalis receptor: synthesis of 14-hydroxy-5 beta,14 beta-pregnane glycosides from digitoxin and digitoxigenin. J Med Chem. 1991 Sep;34(9):2778-82. | ||||
| REF 12 | Cardiac glycoside-like structure and function of 5 beta,14 beta-pregnanes. J Med Chem. 1989 Aug;32(8):1977-81. | ||||
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