Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92687 | Target Info | |||
| Target Name | Gastric H(+)/K(+) ATPase (Proton pump) | ||||
| Synonyms |
Proton pump; Potassium-transporting ATPase
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| Target Type | Successful Target | ||||
| Gene Name | ATP4A; ATP4B | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 25 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Cimetidine
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Approved | Compound Info | ||
| Synonyms |
Acibilin; Acinil; Altramet; Brumetidina; Cimal; Cimetadine; Cimetag; Cimetidina; Cimetidinum; Cimetum; Dyspamet; Edalene; Eureceptor; Evicer; Gastrobitan; Gastromet; Histodil; Magicul; Metracin; Peptol; Sigmetadine; Tagamet; Tametin; Tratul; Ulcedin; Ulcedine; Ulcestop; Ulcimet; Ulcofalk; Ulcomedina; Ulcomet; Ulhys; Valmagen; Venopex; Ci metum; Cimetidine Hcl; Tagamet Hb; Biomet400; C 4522; FPF 1002; SKF 92334; Tagamet Hb 200; CIMETIDINE A/AB; Cimetidina [INN-Spanish]; Cimetidinum [INN-Latin]; DRG-0150; SKF-92334; Tagamet (TN); Tagamet HB (TN); Tagamet HB200 (TN); SK&F-92334; Cimetidine (JP15/USP/INN); Cimetidine [USAN:INN:BAN:JAN]; Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine; N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine; N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine; N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine; N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine; N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine; N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine; N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine; N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine; 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine; 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine; 2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine; 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine; 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
[2-Acetyloxy-4-[2-[(N'-benzylcarbamimidoyl)amino]-1,3-thiazol-4-yl]phenyl] acetate;hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1203471
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| Activity |
IC50 ~ 50000 nM
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[2] | |||
| Compound Name |
2-[4-(3-Chlorophenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1202272; SCHEMBL825891
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| Activity |
IC50 = 53000 nM
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[2] | |||
| Compound Name |
2-[2-(2-Hydroxy-ethoxy)-4-methoxy-phenylmethanesulfinyl]-N-pyridin-4-yl-nicotinamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL320710; BDBM50056054
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| Activity |
IC50 = 59000 nM
|
[3] | |||
| Compound Name |
N-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-guanidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL153711; 2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]guanidine; SCHEMBL3613302; CTK7A9179; BDBM50013251; ZINC22864774; AKOS005209430; 1-(4-(3-Methoxyphenyl)thiazol-2-yl)guanidine; 2-[4-(3-Methoxyphenyl)thiazole-2-yl]guanidine; N -[4-(3-Methoxy-phenyl)-thiazol-2-yl]-guanidine
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| Activity |
IC50 = 60000 nM
|
[2] | |||
| Compound Name |
2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-6-methyl-phenylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL20083; SCHEMBL6474629; BDBM50018872; 2-(1H-benzimidazol-2-ylsulfinylmethyl)-4-chloro-6-methylaniline
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| Activity |
IC50 = 60000 nM
|
[4] | |||
| 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 = 63095.73 nM
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[5] | |||
| Compound Name |
1-(2-Methyl-4-fluorophenyl)-3,4-dimethyl-6-methoxy-1H-pyrrolo[3,2-c]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL95140; BDBM50081754; 1-(4-fluoro-2-methylphenyl)-6-methoxy-3,4-dimethylpyrrolo[3,2-c]quinoline; 1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3,4-dimethyl-1H-pyrrolo[3,2-c]quinoline
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| Activity |
IC50 = 72000 nM
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[6] | |||
| Compound Name |
1-(2-Methylphenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-ethanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL93661; BDBM50081756; 2-(6-Methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-3-yl)-ethanol; 2-[6-methoxy-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-3-yl]ethanol
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| Activity |
IC50 = 80000 nM
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[6] | |||
| Compound Name |
2-[2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL54932; BDBM50071080
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| Activity |
IC50 = 98000 nM
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[7] | |||
| Compound Name |
2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-chloro-phenylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL279086; SCHEMBL6475069; BDBM50018862; 2-(1H-benzimidazol-2-ylsulfinylmethyl)-4-chloroaniline
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
6-Methoxy-3,4-dimethyl-1-o-tolyl-1H-pyrrolo[3,2-c]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL93552; BDBM50081759; 6-methoxy-3,4-dimethyl-1-(2-methylphenyl)pyrrolo[3,2-c]quinoline; 1-(2-Methylphenyl)-3,4-dimethyl-6-methoxy-1H-pyrrolo[3,2-c]quinoline
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
Ethyl 4-amino-3-[[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL277680; SCHEMBL6476079; BDBM50018875; ethyl 4-amino-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]benzoate; 4-Amino-3-(5-methoxy-1H-benzoimidazole-2-sulfinylmethyl)-benzoic acid ethyl ester
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
2-[(E)-2-(4-Methoxy-3,5-dimethyl-pyridin-2-yl)-vinyl]-2-methyl-2,3-dihydro-benzothiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL433094; BDBM50071081
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
(6-Methoxy-1-o-tolyl-1H-pyrrolo[3,2-c]quinolin-3-yl)-methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL317569; BDBM50081758; [6-methoxy-1-(2-methylphenyl)pyrrolo[3,2-c]quinolin-3-yl]methanol; 1-(2-Methylphenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-methanol
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| Activity |
IC50 = 100000 nM
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[6] | |||
| Compound Name |
2-(1H-Benzoimidazole-2-sulfinylmethyl)-4-trifluoromethyl-phenylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL423289; SCHEMBL6482116; BDBM50018858; 2-(1H-benzimidazol-2-ylsulfinylmethyl)-4-(trifluoromethyl)aniline
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
1-(2-Methyl-4-fluorophenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-methanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL97334; BDBM50081757; [1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinolin-3-yl]-methanol; [1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinolin-3-yl]methanol
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
N-[2-(1H-Benzoimidazole-2-sulfinylmethyl)-phenyl]-acetamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL20098; SCHEMBL6475286; BDBM50018853; N-[2-(1H-benzimidazol-2-ylsulfinylmethyl)phenyl]acetamide; N-[2-[(1H-Benzimidazol-2-yl)sulfinylmethyl]phenyl]acetamide
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
5-Chloro-2-[2-(4-methoxy-3,5-dimethyl-pyridin-2-yl)-ethyl]-2-methyl-2,3-dihydro-benzothiazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL58203; BDBM50071077
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
1-(2-Methyl-4-fluorophenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline-3-ethanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL319824; BDBM50081764; 2-[1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinolin-3-yl]-ethanol; 2-[1-(4-fluoro-2-methylphenyl)-6-methoxypyrrolo[3,2-c]quinolin-3-yl]ethanol
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
4-Amino-3-(1H-benzoimidazole-2-sulfinylmethyl)-benzoic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL19992; SCHEMBL6482974; BDBM50018879; ethyl 4-amino-3-(1H-benzimidazol-2-ylsulfinylmethyl)benzoate
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
2-[[2-[Amino]-3-(methoxycarbonyl)benzyl]sulfinyl]-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL277030; SCHEMBL6482646; BDBM50018869; methyl 2-amino-3-(1H-benzimidazol-2-ylsulfinylmethyl)benzoate; 2-Amino-3-(1H-benzoimidazole-2-sulfinylmethyl)-benzoic acid methyl ester
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| Activity |
IC50 ~ 100000 nM
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[4] | |||
| Compound Name |
3-Methyl-1-o-tolyl-6-trifluoromethoxy-1H-pyrrolo[3,2-c]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL328181; BDBM50081760; 3-methyl-1-(2-methylphenyl)-6-(trifluoromethoxy)pyrrolo[3,2-c]quinoline; 1-(2-Methylphenyl)-3-methyl-6-(trifluoromethoxy)-1H-pyrrolo[3,2-c]quinoline
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
2-(5,6-Dimethoxy-1H-benzoimidazole-2-sulfinylmethyl)-phenylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL20318; BDBM50018888
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| Activity |
IC50 = 120000 nM
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[4] | |||
| Compound Name |
Timoprazole
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Investigative | Compound Info | ||
| Synonyms |
Timoprazole [INN]; 2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole; CHEMBL9861; Timoprazole (INN); 2-[(2-pyridinylmethyl)sulfinyl]-1h-benzimidazole; Timoprazol; Timoprazolum; Timoprazol [INN-Spanish]; Timoprazolum [INN-Latin]; 2-[[(2-pyridinyl)methyl]sulfinyl]benzimidazole; SCHEMBL464728; CTK5A6504; pyridylmethylsulfinyl benzimidazole; BDBM50018854; 2-(2-pyridylmethylsulfinyl)benzimidazole; 2-((2-Pyridylmethyl)sulfinyl)benzimidazole; 2-[(2-pyridylmethyl)sulphinyl]benzimidazole; D05900; 2-(2-pyridinylmethyl)sulfinyl]-1H-Benzimidazole,; 2-(Pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole; H 83/69; SR-01000944992; 1H-Benzimidazole,2-[(2-pyridinylmethyl)sulfinyl]-; SR-01000944992-1; Q27271790; 2-(Pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole(timoprazole)
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| Activity |
IC50 = 130000 nM
|
[4] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
[2-Methyl-8-(3-phenyl-allyl)-imidazo[1,2-a]pyridin-3-yl]-acetonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL136140; BDBM50008970; [2-Methyl-8-((E)-3-phenyl-allyl)-imidazo[1,2-a]pyridin-3-yl]-acetonitrile; 2-Methyl-8-[(E)-3-phenyl-2-propenyl]imidazo[1,2-a]pyridine-3-acetonitrile
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| Activity |
IC50 = 442000 nM
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[8] | |||
| References | Top | ||||
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| REF 1 | Synthesis of (aryloxy)alkylamines. 1. Novel antisecretory agents with H+K+-ATPase inhibitory activity. J Med Chem. 1988 Sep;31(9):1778-85. | ||||
| REF 2 | Antiulcer agents. 4-substituted 2-guanidinothiazoles: reversible, competitive, and selective inhibitors of gastric H+,K(+)-ATPase. J Med Chem. 1990 Feb;33(2):543-52. | ||||
| REF 3 | Nicotinamide derivatives as a new class of gastric H+/K(+)-ATPase inhibitors. 1. Synthesis and structure-activity relationships of N-substituted 2-(benzhydryl- and benzylsulfinyl)nicotinamides. J Med Chem. 1997 Jan 31;40(3):313-21. | ||||
| REF 4 | Substituted 2-[(2-benzimidazolylsulfinyl)methyl]anilines as potential inhibitors of H+/K+ ATPase. J Med Chem. 1988 Jun;31(6):1215-20. | ||||
| REF 5 | (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 6 | Synthesis and pharmacological profile of 1-aryl-3-substituted pyrrolo[3,2-c]quinolines. Bioorg Med Chem Lett. 1999 Oct 4;9(19):2819-22. | ||||
| REF 7 | Syntheses of 2-[(3,5-dimethyl-4-methoxypyridyl)alkyl]-benzothiazolidine derivatives as a potential gastric H+/K(+)-ATPase inhibitor. Bioorg Med Chem Lett. 1998 Jul 21;8(14):1909-12. | ||||
| REF 8 | Antiulcer agents. 6. Analysis of the in vitro biochemical and in vivo gastric antisecretory activity of substituted imidazo[1,2-a]pyridines and related analogues using comparative molecular field analysis and hypothetical active site lattice methodologies. J Med Chem. 1997 Feb 14;40(4):427-36. | ||||
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