Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T30803 | Target Info | |||
| Target Name | Glutathione reductase (GR) | ||||
| Synonyms |
Glutathione reductase, mitochondrial; GRase; GRD1; GLUR
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| Target Type | Patented-recorded Target | ||||
| Gene Name | GSR | ||||
| Biochemical Class | Sulfur donor oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 68 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
L-Glutamic Acid
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Approved | Compound Info | ||
| Synonyms |
Aciglut; Glu; Glusate; Glut; Glutacid; Glutamicol; Glutamidex; Glutaminol; Glutaton; Gulutamine; Acide glutamique; Acido glutamico; Acidum glutamicum; Acidum glutaminicum; Glutamic acid polymer; Glutaminic acid; E 620; A-Aminoglutaric acid; A-Glutamic acid; Acide glutamique [INN-French]; Acido glutamico [INN-Spanish]; Acidum glutamicum [INN-Latin]; D-Glutamiensuur; Glutamic Acid [USAN:INN]; Glutamic acid (VAN); Glutaminic acid (VAN); Gulutamine (USP); L-Glutamic acid hydrochloride; L-Glutaminic acid; L-Glutaminsaeure; L-glu; L-glutamate; Alpha-Aminoglutaric acid (VAN); Alpha-L-Glutamic acid polymer; Glutamic Acid (L-glutamic acid); Glutamic acid (H-3); H-Glu-OH; L-2-Aminoglutaric acid; L-Glutamic acid (9CI); L-Glutamic acid (JAN); L-Glutamic acid, homopolymer; L-a-Aminoglutaric acid; L-alpha-Aminoglutaric acid; Poly-L-glutamate; Sodium Glutamate (L-glutamic Acid); Glutamic acid, L-, peptides; L-Glutamic acid, homopolymer (9CI); Poly(alpha-L-glutamic acid); Glutamic acid, L-(7CI,8CI); L-(+)-glutamic acid; (S)-(+)-Glutamic acid; (S)-2-Aminopentanedioic acid; (S)-Glutamic acid; 1-Aminopropane-1,3-dicarboxylic acid
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| Activity |
IC50 = 53700 nM
|
[1] | |||
| Compound Name |
Chlorhexidine
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Approved | Compound Info | ||
| Synonyms |
AVAGARD; Chlorhexidin; Chlorhexidinum; Cloresidina; Clorhexidina; Fimeil; Hexadol; Hibiclens; Hibispray; Hibistat;Nolvasan; Novalsan; Peridex; Periogard; Rotersept; Savloclens; Soretol; Sterido; Sterilon; Superspray; Tubulicid; Chlorhexidin [Czech]; Chlorhexidine Base; Chlorhexidine gluconate; Cloresidina [DCIT]; Decanoylacetaldehyde Sodium Sulfide; Dentisept [veterinary]; Savlon babycare; Sebidin A; Sodium Houttuyfonamide; Avagard (TN); BIOPATCH (TN); ChloraPrep (TN); Chlorhexamed (TN); Chlorhexidine (INN);Chlorhexidine [INN:BAN]; Chlorhexidinum [INN-Latin]; Chlorohex (TN); Clohex (TN); Clorexil (TN); Clorhexidina [INN-Spanish]; Corsodyl (TN); Dentisept [veterinary] (TN); Dexidin (TN); Exidine (TN); Hibiclens (TN); Hibiscrub (TN); MK-412A; Merfen-incolore; Oro-Clense; Oronine (TN); Perichlor (TN); Peridex (TN); Peridont (TN); Periochip (TN); Periogard Oral Rinse (TN); Perioxidina (TN); Savacol (TN); Suthol (TN); Dejavu-MW (TN); Merfen-incolore (TN); Lisium (*Dihydrochloride*); Nolvasan (*Diacetate*); SOLU-I.V (TN); N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)(imidodicarbonimidic diamide)]; N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca-nediimidamide; N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]; 1,1 inverted exclamation marka-Hexamethylenebis[5-(4-chlorophenyl)biguanide]; 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide); 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane; 1,6-Bis(p-chlorophenyldiguanido)hexane; 1,6-Di(4'-chlorophenyldiguanido)hexane; 1,6-Di(N-p-chlorophenyldiguanido)hexane
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| Activity |
Ki = 192000 nM
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[2] | |||
| Compound Name |
L-lysine
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Investigative | Compound Info | ||
| Synonyms |
Enisyl
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| Activity |
Ki = 54600 nM
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[1] | |||
| Compound Name |
3-Cyano-4-(3-methoxyphenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL569188; SCHEMBL1547497; BDBM50300741; NCGC00167935-01; 4-(3-methoxyphenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
4,4'-(1,3-Phenylene)bis(3-cyano-1,2,5-oxadiazole 2-oxide)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL575013; SCHEMBL1547730; BDBM50300759; NCGC00168366-01; 4,4''-(1,3-phenylene)bis(3-cyano-1,2,5-oxadiazole 2-oxide)
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
3-Cyano-4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL568961; SCHEMBL1547814; BDBM50300742; NCGC00167923-01; 2-oxido-4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-Phenyl-3-furoxancarbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL336467; 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carbonitrile; Lopac-P-1726; Lopac0_000926; BSPBio_001187; KBioGR_000527; KBioSS_000527; SCHEMBL320190; KBio2_000527; KBio2_003095; KBio2_005663; KBio3_000953; KBio3_000954; 3-Cyano-4-phenylfurazan 2-oxide; Bio2_000424; Bio2_000904; HMS1362K09; HMS1792K09; HMS1990K09; HMS3403K09; ZINC2562608; BDBM50038412; AKOS006273082; 2-Oxy-4-phenyl-furazan-3-carbonitrile; CCG-205007; IDI1_002179; QTL1_000039; NCGC00015800-01; NCGC00015800-02; NCGC00015800-03; NCGC00015800-04; NCGC00015800-05; NCGC00015800-06; NCGC00015800-07; NCGC00094237-01; NCGC00094237-02; NCGC00094237-03; NCGC00094237-04; NCGC00094237-05; NCGC00167918-01; EU-0100926; 3-cyano-4-phenyl-1,2,5-oxadiazole 2-oxide; P 1726; SR-01000076058; 4-phenyl-1,2,5-oxadiazole-3-carbonitrile-2-oxide; SR-01000076058-1; 3-CYANO-4-PHENYL-1,2,5-OXADIAZOL-2-IUM-2-OLATE
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Carboxy-4-phenylfurazan 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL574577; BDBM50300755; NCGC00168361-01; 3-carboxy-4-phenyl-1,2,5-oxadiazole 2-oxide
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
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Investigative | Compound Info | ||
| Synonyms |
NSC688494; CHEMBL567641; 3-(hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide; SCHEMBL20167031; 4-phenyl-3-hydroxymethyl-furoxan; DTXSID10327811; ZINC1651324; BDBM50300757; NSC-688494; NCGC00168370-01; NCI60_031935; 3-(Hydroxymethyl)-4-phenylfurazan 2-oxide; 3-(Hydroxymethyl)-4-phenyl-1,2.lambda.~5~,5-oxadiazol-2-ol
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-Phenyl-3-furoxancarboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL500868; SCHEMBL6654477; 2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-carboxamide; BDBM50300754; 3-Carbamoyl-4-phenyl-furazan-2-oxide; NCGC00168363-01; 2-Oxy-4-phenyl-furazan-3-carboxylic acid amide; 3-carbamoyl-4-phenyl-1,2,5-oxadiazole 2-oxide
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Cyano-4-p-tolyl-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL574801; SCHEMBL1547962; BDBM50300739; NCGC00167944-01; 3-Cyano-4-(4-methylphenyl)furazan 2-oxide; 4-(4-methylphenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
3-Cyano-4-(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL570346; SCHEMBL1547781; BDBM50300753; NCGC00168368-01; 4-(3-nitrophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
3-Cyano-4-(4-fluorophenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL576118; SCHEMBL1547742; BDBM50300744; NCGC00167924-01; 3-Cyano-4-(4-fluorophenyl)furazan 2-oxide; 4-(4-fluorophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Methyl-4-phenylfurazan 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL574360; 3-methyl-4-phenylfuroxan; CTK1J1585; DTXSID40481016; BDBM50300758; NCGC00168362-01; 3-methyl-4-phenyl-1,2,5-oxadiazole 2-oxide; 1,2,5-Oxadiazole, 3-methyl-4-phenyl-, 2-oxide; 3-methyl-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-(3-Bromophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL574579; SCHEMBL1547812; BDBM50300750; NCGC00167932-01; 4-(3-bromophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-(3-Bromo-4-fluorophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL585190; SCHEMBL1547980; BDBM50300751; NCGC00167927-01; 4-(3-bromo-4-fluorophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Cyano-4-(4-methoxyphenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL578810; SCHEMBL1548148; BDBM50300740; NCGC00167928-01; 3-Cyano-4-(4-methoxyphenyl)furazan 2-oxide; 4-(4-methoxyphenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-(4-Bromophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL585368; SCHEMBL1547817; BDBM50300748; NCGC00167919-01; 3-Cyano-4-(4-bromophenyl)furazan 2-oxide; 4-(4-bromophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Cyano-4-(furan-2-yl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL565242; SCHEMBL1548125; BDBM50300736; NCGC00167926-01; 4-(furan-2-yl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-(4-Chlorophenyl)-3-cyano-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL567408; SCHEMBL1547686; BDBM50300747; NCGC00167920-01; 3-Cyano-4-(4-chlorophenyl)furazan 2-oxide; 4-(4-chlorophenyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
3-Cyano-4-(3-(trifluoromethyl)phenyl)-1,2,5-oxadiazole 2-oxide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL571710; SCHEMBL1547525; BDBM50300752; NCGC00167929-01; 2-oxido-4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazol-2-ium-3-carbonitrile
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
4-(4-Hydroxyphenyl)furoxan-3-carbonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL570132; SCHEMBL1548118; BDBM50300737; NCGC00167937-01; 3-Cyano-4-(4-hydroxyphenyl)furazan 2-oxide; 3-cyano-4-(4-hydroxyphenyl)-1,2,5-oxadiazole 2-oxide
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| Activity |
IC50 ~ 50000 nM
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[3] | |||
| Compound Name |
1-[4-(2-Methoxy-6-chloro-9-acridinylamino)butyl]-3-benzylurea
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL91309; BDBM50104662; 1-Benzyl-3-[4-(6-chloro-2-methoxy-acridin-9-ylamino)-butyl]-urea
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| Activity |
IC50 = 55800 nM
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[4] | |||
| Compound Name |
3-Anilino-1-(3-nitrophenyl)-1-propanone
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Investigative | Compound Info | ||
| Synonyms |
3-anilino-1-(3-nitrophenyl)propan-1-one; MLS000571277; CHEMBL233347; SMR000193644; CBMicro_037729; Oprea1_837381; cid_877450; BDBM34731; HMS2463L05; ZINC446424; MCULE-6826880884; BIM-0037495.P001; 1-(3-nitrophenyl)-3-phenylazanyl-propan-1-one; SR-01000223636; SR-01000223636-1; Q27183072
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| Activity |
IC50 = 58000 nM
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[5] | |||
| Compound Name |
1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride
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Investigative | Compound Info | ||
| Synonyms |
Antitrypanosomal agent 1; 1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanone HCl; 1-(3,4-Dichlorophenyl)-3-(dimethylamino)-1-propanone Hydrochloride; MFCD01220371; 1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride; CHEMBL536752; BIM-0008404.P001; Cambridge id 5927943; SCHEMBL16414647; CTK8F2686; DTXSID10386943; LT0130; NSC304108; ACN-049371; HY-W052512; NSC-304108; SY096675; AB0076175; CS-0045380; X-3734; SR-01000223590; SR-01000223590-1; 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one HCl; 1-(3,4-Dichloro-phenyl)-3-dimethylamino-propan-1-one hydrochloride; 1-(3,4-Dichlorophenyl)-3-dimethylamino-1-propanonehydrochloride; 1-(3,4-DICHLOROPHENYL)-3-DIMETHYLAMINO-1-PROPANONE HYDROCHLORIDE; 1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one--hydrogen chloride (1/1)
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| Activity |
IC50 = 64800 nM
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[5] | |||
| Compound Name |
4-[(Dimethylamino)methyl]-2,6-diisopropylbenzenol
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Investigative | Compound Info | ||
| Synonyms |
4-((dimethylamino)methyl)-2,6-diisopropylphenol; CHEMBL55756; p-CRESOL, alpha-(DIMETHYLAMINO)-2,6-DIISOPROPYL-; 4-[(dimethylamino)methyl]-2,6-di(propan-2-yl)phenol; 2,6-Diisopropyl-4-((dimethylamino)methyl)phenol; 3-Hydroxybenzyldimethylamine hydrochloride; 2,6-Diisopropyl-4-[(dimethylamino)methyl]phenol; NSC 68328; BRN 2939746; 4-((DIMETHYLAMINO)METHYL)-2,6-DIISOPROPYLBENZENOL; alpha-(Dimethylamino)-m-cresol hydrochloride; alpha-(Dimethylamino)-2,6-diisopropyl-p-cresol; CBMicro_016910; Oprea1_662916; 4-13-00-02008 (Beilstein Handbook Reference); SCHEMBL5569907; CTK4J1136; DTXSID40197701; CCG-5900; KS-000023MU; NSC68328; ZINC4759246; 4234AE; BDBM50064429; MFCD00514869; NSC-68328; SBB098457; AKOS005072129; CA-0871; BIM-0016911.P001; 4-Dimethylaminomethyl-2,6-diisopropyl-phenol; FT-0680878; AB00080269-01; J-513181; 4-[(dimethylamino)methyl]-2,6-bis(methylethyl)phenol; 4-[(dimethylamino)methyl]-2,6-bis(propan-2-yl)phenol; Phenol,4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)-
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| Activity |
IC50 = 79300 nM
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[5] | |||
| Compound Name |
3-(2,3-Dimethylphenylamino)-1-(3-nitrophenyl)propan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL233348; CBMicro_037469; Cambridge id 5925071; Oprea1_162245; ZINC446278; BDBM50201776; BIM-0037629.P001
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| Activity |
IC50 = 86300 nM
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[5] | |||
| Compound Name |
1-(3,4-Dichlorophenyl)-2-(2-imino-3-(2-(piperidin-1-yl)ethyl)-2,3-dihydrobenzo[d]imidazol-1-yl)ethanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL246979; GNF-Pf-3199; Oprea1_108411; Oprea1_457477; BDBM50201552; STK527238; AKOS000591738; AKOS021993116; MCULE-1823830680
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
1-(3,3-Diphenylpropyl)-3-[N-[3-[7-[3-[[N-[N-(3,3-diphenylpropyl)carbamimidoyl]carbamimidoyl]amino]propylamino]heptylamino]propyl]carbamimidoyl]guanidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL378900; SCHEMBL10045252; BDBM50185388
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| Activity |
IC50 ~ 100000 nM
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[7] | |||
| Compound Name |
2,6-Dibenzylidenecyclohexanone
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Investigative | Compound Info | ||
| Synonyms |
(2E,6E)-2,6-dibenzylidenecyclohexan-1-one; Cyclohexanone, 2,6-dibenzylidene-; CHEMBL274993; 2,6-Bis(benzylidene)cyclohexanone; 1,3-Dibenzylidene-2-cyclohexanone; (2E,6E)-2,6-Dibenzylidenecyclohexanone; Cyclohexanone, 2,6-bis(phenylmethylene)-; Cyclohexanone,6-dibenzylidene-; 2,6-Bisbenzylidenecyclohexanone; Cyclohexanone,6-bis(phenylmethylene)-; MLS002701880; 1,3-Dibenzal-2-cyclohexanone; NSC2384; 2,6-bis[(E)-phenylmethylidene]cyclohexanone; 2,6-dibenzylidene-cyclohexanone; SCHEMBL12948726; HMS559I22; NSC-2384; NSC40618; ZINC4582835; 2,6-Bis-(benzylidene)-cyclohexanone; BDBM50240380; CCG-52176; MFCD00019516; NSC-40618; 2,6-Di(benzylidene)cyclohexan-1-one; AKOS001018314; 2,6-Di[(E)-benzylidene]cyclohexanone; 2,6-bis(phenylmethylene)cyclohexan-1-one; (2E,6E)-2,6-Dibenzylidenecyclohexanone #; D1194; ST45145222; (2E,6E)-2,6-dibenzylidene-cyclohexan-1-one; 1R-0613; 2,6-Bis-[1-phenyl-meth-(E)-ylidene]-cyclohexanone; SR-01000641425-1; (2E,6E)-2,6-bis(phenylmethylidene)cyclohexan-1-one
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| Activity |
IC50 ~ 100000 nM
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[8] | |||
| Compound Name |
1-Benzyl-3-(2-(2-(2-(3-benzyl-2-imino-2,3-dihydrobenzo[d]imidazol-1-yl)ethoxy)ethoxy)ethyl)-1H-benzo[d]imidazol-2(3H)-imine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL247178; AE-848/42025892; BDBM50201554; ZINC28899113
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| Activity |
IC50 ~ 100000 nM
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[6] | |||
| Compound Name |
Methyl (6-bromo-2-methyl-4-phenylquinazolin-3(4H)-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1836554; TimTec1_008369; HMS1557M09; BDBM50354297; STL353180; AKOS000669331; AKOS016881640; MCULE-8870730326; ST50002793; AB00093636-01; SR-01000403908; SR-01000403908-1; F0013-1098; methyl 2-(6-bromo-2-methyl-4-phenylquinazolin-3(4H)-yl)acetate; methyl 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-yl)acetate
Click to Show/Hide
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||||
| Activity |
IC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
2,5-Dibenzylidenecyclopentanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL151734; (2E,5E)-2,5-dibenzylidenecyclopentan-1-one; NSC629646; (2E,5E)-2,5-Dibenzylidenecyclopentanone; Cyclopentanone, 2,5-dibenzylidene-; Cyclopentanone, 2,5-bis(phenylmethylene)-; Cyclopentanone,5-dibenzylidene-; SCHEMBL12948629; HMS551C01; NSC71885; ZINC5888122; BDBM50240847; CCG-47621; MFCD00019321; NSC-71885; AKOS001570609; Cyclopentanone,5-bis(phenylmethylene)-; NSC-629646; 2,5-Di[(E)-benzylidene]cyclopentanone; AS-63200; D3597; (2E,5E)-2,5-dibenzylidene-cyclopentan-1-one; SR-01000637225-1; (2E,5E)-2,5-bis(phenylmethylidene)cyclopentan-1-one; 2,5-Bis-[1-phenyl-meth-(E)-ylidene]-cyclopentanone; Cyclopentanone, 2,5-bis(phenylmethylene)-, (2E,5E)-
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2E,6E)-2,6-Bis(quinolin-4-ylmethylidene)cyclohexan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104699; BDBM50445455
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
1-(3,4-Dichlorophenyl)-2-(3-(2-(dimethylamino)ethyl)-2-imino-2,3-dihydrobenzo[d]imidazol-1-yl)ethanol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
GNF-PF-2112; CHEMBL395209; Oprea1_242034; DNDI1417915; BDBM50201545
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104703; EINECS 305-244-4; BDBM50445451; 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone; (2E,6E)-2,6-Di(2-pyrrolylmethylene)cyclohexane-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(3,3-Diphenylpropyl)-1-3-[3-({3-[(3-{N-[3-(3,3-diphenylpropyl)carbamimidamidomethanimidoyl]amino}propyl)amino]propyl}amino)propyl]carbamimidamidomethanimidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL207396; SCHEMBL10045062; BDBM50185396
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2E,6E)-2,6-Bis(isoquinolin-5-ylmethylidene)cyclohexan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104701; BDBM50445453
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-(2,2-Diphenylethyl)-1-[3-[7-[3-[[N'-(2,2-diphenylethyl)carbamimidoyl]amino]propylamino]heptylamino]propyl]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL208290; SCHEMBL14417261; BDBM50185399
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2E,5E)-2,5-Bis(quinolin-4-ylmethylidene)cyclopentan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104698; BDBM50445456
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2E,5E)-2,5-Bis[[4-[[4-(2-hydroxyethyl)triazol-1-yl]methyl]phenyl]methylidene]cyclopentan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104704; BDBM50445450
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2,5-Bis-(4-methyl-benzylidene)-cyclopentanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104696; 2,5-Bis(4-methylbenzylidene)cyclopentanone; SCHEMBL14017013; ZINC4538536; BDBM50445460; STK762024; AKOS000575987; MCULE-8470428984; ST4052467; 2,5-Bis[(E)-4-methylbenzylidene]cyclopentanone; (2E,5E)-2,5-bis(4-methylbenzylidene)cyclopentanone; 2,5-bis[(4-methylphenyl)methylene]cyclopentan-1-one; 2,5-bis[(E)-1-(4-methylphenyl)methylidene]-1-cyclopentanone
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-(2,2-Diphenylethyl)-1-[3-[3-[3-[[N'-(2,2-diphenylethyl)carbamimidoyl]amino]propylamino]propylamino]propyl]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL207163; SCHEMBL14417262; BDBM50185401
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2E,5E)-2,5-Di(2-pyrrolylmethylene)cyclopentane-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104702; BDBM50445452
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-[3-[7-[3-[[Amino-(3,3-diphenylpropylamino)methylidene]amino]propylamino]heptylamino]propyl]-1-(3,3-diphenylpropyl)guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL379701; SCHEMBL10045243; BDBM50185394
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[3-[3-[3-[[Amino-(3,3-diphenylpropylamino)methylidene]amino]propylamino]propylamino]propyl]-1-(3,3-diphenylpropyl)guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL382434; SCHEMBL10045247; BDBM50185398
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-Benzyl-1-[3-[7-[3-[(N'-benzylcarbamimidoyl)amino]propylamino]heptylamino]propyl]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL439520; BDBM50185391; N-benzyl-N''-(3-{7-[3-(N''-benzyl-guanidino)-propylamino]-heptylamino}-propyl)-guanidine
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2E,5E)-2,5-Bis(isoquinolin-5-ylmethylidene)cyclopentan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104700; BDBM50445454
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2E,5E)-2,5-Bis(pyridin-4-ylmethylene)cyclopentanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2036339; F0013-1066; HMS1412K13; ZINC4644645; BDBM50445457; STK976267; AKOS002385075; IDI1_008452; 2,5-Bis(4-pyridylmethylene)cyclopentanone; ST50495990; 2,5-bis(4-pyridylmethylene)cyclopentan-1-one; SR-01000092949; (2E,5E)-2,5-Bis(4-pyridylmethylene)cyclopentanone; SR-01000092949-1; (2E,5E)-2,5-bis(pyridin-4-ylmethylidene)cyclopentanone; (e,e)-2,5-bis(pyridin-4-ylmethylidene)cyclo-pentanone
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2,4-Dioxo-10-[3,5-bis(trifluoromethyl)phenyl]-2,3,4,10-tetrahydrobenzo[g]pteridine-3-acetic acid ethyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38355; BDBM50052003
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[10] | |||
| Compound Name |
N-(2,2-Diphenylethyl)-1-3-[3-({7-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]heptyl}amino)propyl]carbamimidamidomethanimidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL209039; SCHEMBL10045067; BDBM50185389
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
N-(3,3-Diphenylpropyl)-1-3-[3-({4-[(3-{N-[3-(3,3-diphenylpropyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL378136; SCHEMBL10045256; BDBM50185400
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2,6-Bis-(4-methyl-benzylidene)-cyclohexanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL502160; (2E,6E)-2,6-bis(4-methylbenzylidene)cyclohexanone; 2,6-bis(4-methylbenzylidene)cyclohexanone; NSC622704; SCHEMBL19050168; (2E,6E)-2,6-bis[(4-methylphenyl)methylidene]cyclohexan-1-one; ZINC4692965; BDBM50264834; AKOS000576108; NSC-622704; 2,6-Bis(p-methylbenzylidene)cyclohexanone; 2,6-Bis-(p-methylbenzylidene)cyclohexan-1-one; 2,6-Bis[(E)-4-methylbenzylidene]cyclohexanone
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-(2,2-Diphenylethyl)-1-[3-[4-[3-[[N'-(2,2-diphenylethyl)carbamimidoyl]amino]propylamino]butylamino]propyl]guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL210370; SCHEMBL10045250; BDBM50185395
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2,6-Bis(4-(dimethylamino)benzylidene)cyclohexanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL404678; (2E,6E)-2,6-bis(4-(dimethylamino)benzylidene)cyclohexanone; (2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone; NSC33270; SCHEMBL19474922; HMS551C03; ZINC4522523; BDBM50241499; NSC-33270; AKOS001570667; ST50455460; 2,6-Di(4-dimethylaminobenzylidene)cyclohexanone; 2,6-Bis[(E)-4-(dimethylamino)benzylidene]cyclohexanone; 2,6-BIS(4-(DIMETHYLAMINO)BENZYLIDENE)-1-CYCLOHEXANONE; 2,6-bis{[4-(dimethylamino)phenyl]methylene}cyclohexan-1-one; (2E,6E)-2,6-bis[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
N-(2,2-Diphenylethyl)-1-3-[3-({3-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]propyl}amino)propyl]carbamimidamidomethanimidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL209834; SCHEMBL10045253; BDBM50185390
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
1-Cycloheptyl-3-{3-[(7-{[3-(3-cycloheptylcarbamimidamido)propyl]amino}heptyl)amino]propyl}guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL206916; BDBM50185392
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
N-(2,2-Diphenylethyl)-1-3-[3-({4-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL210371; SCHEMBL10045254; BDBM50185393
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2E,5E)-2,5-Bis[[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methylidene]cyclopentan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104705; BDBM50445449
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2,5-Bis(4-nitrobenzylidene)cyclopentanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104697; (2E,5E)-2,5-bis(4-nitrobenzylidene)cyclopentanone; NSC54914; ZINC5124204; BDBM50445458; NSC-54914; STK993543; AKOS001570733; 2,5-Bis[(E)-4-nitrobenzylidene]cyclopentanone
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2E,6E)-2,6-Bis(pyridin-4-ylmethylene)cyclohexanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SC 66; MLS000729928; (2E,6E)-2,6-Bis(4-pyridinylmethylene)cyclohexanone; (2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexan-1-one; SMR000308205; (2E,6E)-2,6-bis(4-pyridylmethylene)cyclohexanone; (2E,6E)-2,6-bis(pyridin-4-ylmethylidene)cyclohexanone; SR-01000092925; Cyclohexanone, 2,6-bis(4-pyridinylmethylene)-, (2E,6E)-; SC-66; MLS004712005; CHEMBL1224755; SCHEMBL20609252; BDBM68089; cid_6018993; EX-A810; HMS1621D01; HMS2748F19; DNDI1417086; ZINC4762361; MFCD05025493; STL231943; AKOS001770289; CCG-267209; CS-5452; SC66, >=98% (HPLC); 2,6-Bis(4-pyridylmethylene)cyclohexanone; AS-69841; HY-19832; S5313; EC-000.2525; VU0311109-2; 2,6-Bis(pyridin-4-ylmethylene)cyclohexan-1-one; J-690372; SR-01000092925-1; SR-01000092925-3; (e,e)-2,6-bis(pyridin-4-ylmethylidene)-cyclohexanone; (2E,6E)-2,6-bis(pyridin-4-ylmethylidene)-1-cyclohexanone; (2E,6E)-2,6-bis[(pyridin-4-yl)methylidene]cyclohexan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-[3-[4-[3-[[Amino-(3,3-diphenylpropylamino)methylidene]amino]propylamino]butylamino]propyl]-1-(3,3-diphenylpropyl)guanidine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL380857; SCHEMBL10045251; BDBM50185397
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2,5-Bis(4-(dimethylamino)benzylidene)cyclopentanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL255167; (2E,5E)-2,5-bis(4-(dimethylamino)benzylidene)cyclopentanone; (2E,5E)-2,5-bis[4-(dimethylamino)benzylidene]cyclopentanone; NSC204947; 2,5-bis(4-dimethylaminobenzylidene)cyclopentanone; SCHEMBL11966165; DTXSID40422989; ZINC4547641; BDBM50445459; MFCD00365996; STK852443; AKOS001572539; NSC-204947; 2,5-Di(4-dimethylaminobenzylidene)cyclopentanone; (2E,5E)-2,5-Bis[[4-(dimethylamino)phenyl]methylene]cyclopentane-1-one; (2E,5E)-2,5-bis[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
1-(4-(Methylsulfonyl)phenyl)-3-(piperidin-1-yl)propan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL392238; Peakdale1_000585; 1-[4-(methylsulfonyl)phenyl]-3-(piperidin-1-yl)propan-1-one; CTK7F7299; BDBM50201784
Click to Show/Hide
|
||||
| Activity |
IC50 = 105000 nM
|
[5] | |||
| Compound Name |
Butyl 4-(3-(3-nitrophenyl)-3-oxopropylamino)benzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233339; CBMicro_038084; ZINC2870217; BDBM50201781; AKOS024362115; MCULE-8705722288; BIM-0038154.P001; ST50992933; butyl 4-{[3-(3-nitrophenyl)-3-oxopropyl]amino}benzoate
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 135000 nM
|
[5] | |||
| Compound Name |
4-(Azepan-1-ylmethyl)-2,6-di-tert-butylphenol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL395223; ChemDiv1_028369; MixCom6_000561; Oprea1_589781; HMS667J11; ZINC2023784; BDBM50201783; STK667654; AKOS001705453; MCULE-1554942231; ST4014351; 4-(1-azepanylmethyl)-2,6-di(tert-butyl)phenol; SR-01000510573; SR-01000510573-1; 4-(azaperhydroepinylmethyl)-2,6-bis(tert-butyl)phenol
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 155000 nM
|
[5] | |||
| Compound Name |
1-(3,4-Dichlorophenyl)-3-(4-ethylanilino)-1-propanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL231735; 1-(3,4-dichlorophenyl)-3-(4-ethylphenylamino)propan-1-one; 1-(3,4-Dichlorophenyl)-3-((4-ethylphenyl)amino)propan-1-one; 1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one; CBMicro_008636; Oprea1_140332; ZINC354323; SMSF0009944; BDBM50201779; AKOS005108624; JS-2434; MCULE-8924956127; KS-0000273G; BIM-0008619.P001
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 157000 nM
|
[5] | |||
| Compound Name |
3-(3-Fluoroanilino)-1-(3-nitrophenyl)-1-propanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL233549; 3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one; CBMicro_037712; Cambridge id 5926568; Oprea1_552596; MLS000683343; CTK7C2032; ZINC59752; HMS2718P12; BDBM50201775; STK749727; AKOS001709718; MCULE-1740804144; SMR000267684; BIM-0037734.P001; ST50996141; SR-01000510094; SR-01000510094-1; 3-(3-fluorophenylamino)-1-(3-nitrophenyl)propan-1-one; 3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)-1-propanone
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 173000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 8 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Flavonoid derivative 4
Click to Show/Hide
|
Patented | Compound Info | ||
| Synonyms |
PMID26394986-Compound-48
Click to Show/Hide
|
||||
| Activity |
IC50 = 218000 nM
|
[11] | |||
| Compound Name |
Mepacrine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
quinacrine; mepacrine; atabrine; Acrinamine; Acriquine; 83-89-6; Quinactine; Antimalarina; Haffkinine; Akrichin; Italchine; acrichine; Erion; Mepacrinum; Quinacrine hydrochloride; Mepacrine [INN:BAN]; St 439; Mepacrinum [INN-Latin]; Mepacrina [INN-Spanish]; atebrin; Malaricida; Methoquine; Palacrin; Italchin; Pentilen; Palusan; Atebrine; Metochin; Mecryl; Quinacrine, Mepacrine; 3-Chloro-7-methoxy-9-(1-methyl-4-diethylaminobutylamino)acridine; 2-Methoxy-6-chloro-9-diethylaminopentylaminoacridine; HSDB 3253
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[4] | |||
| Compound Name |
1-(4-Chlorophenyl)-3-morpholin-4-ylpropan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL234180; CBMicro_015656; Oprea1_197021; Oprea1_867050; MLS000687486; SCHEMBL7255774; HMS2735B10; BDBM50201780; STK764809; ZINC19314003; AKOS000505036; MCULE-7567363973; SMR000283519; ST038052; EU-0006909; 1-(4-chlorophenyl)-3-morpholinopropan-1-one; AB00076864-01; 1-(4-chlorophenyl)-3-(morpholin-4-yl)propan-1-one
Click to Show/Hide
|
||||
| Activity |
IC50 > 212000 nM
|
[5] | |||
| Compound Name |
(2E,5E)-2,5-Bis[[4-(azidomethyl)phenyl]methylidene]cyclopentan-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3104706; BDBM50445448
Click to Show/Hide
|
||||
| Activity |
IC50 = 228000 nM
|
[8] | |||
| Compound Name |
Nitrobenzene
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Nitrobenzol; Benzene, nitro-; Oil of mirbane; Mirbane oil; Essence of mirbane; nitro-Benzene; Nitrobenzeen; Oil of myrbane; Nitrobenzen; Mononitrobenzene; Essence of Myrbane; RCRA waste number U169; 1-nitrobenzene; UNII-E57JCN6SSY; NCI-C60082; NSC 9573; BENZENE,NITRO; BENZENE-NO2; E57JCN6SSY; 2-nitrobenzene; MFCD00007043; NCGC00091398-02; p-Nitrobenzene; DSSTox_CID_964; DSSTox_RID_75892; DSSTox_GSID_20964; Nitrobenzeen [Dutch]; Nitrobenzen [Polish]; Nitrobenzene, 99%, extra pure; Caswell No. 600; Nitrobenzene, 99+%, ACS reagent; Nitrobenzene, 99.5%, for analysis; Poly(nitrobenzene); CCRIS 2841; HSDB 104; EINECS 202-716-0; UN1662; RCRA waste no. U169; EPA Pesticide Chemical Code 056501; Benzene, nitro-, homopolymer; nitro benzene; p-Nitrophenyl; 3-nitrobenzene; 4-nitrobenzene; AI3-01239; benzene, nitro; mono nitro benzene; nitrocyclohexatriene; Nitrobenzol, liquid; Pnp, p-nitrophenol; Nitrobenzeen(DUTCH); p-Nitrophenyl radical; Nitrobenzen(POLISH); Oxohydroxyphenylaminium; PhNO2; MYRBANE OIL; WLN: WNR; Nitrobenzol, liquid(DOT); bmse000676; Epitope ID:117707; EC 202-716-0; SCHEMBL20411; ghl.PD_Mitscher_leg0.646; KSC175O1B; BIDD:ER0702; CHEMBL15750; Nitrobenzene, LR, >=99%; DTXSID3020964; SCHEMBL11481750; Nitrobenzene, analytical standard; TIMTEC-BB SBB040911; NSC9573; LABOTEST-BB LTBB002583; ZINC896426; KS-00000X5N; NSC-9573; AKOS BBS-00004396; Tox21_111127; Tox21_201750; Tox21_300508; BDBM50352162; Nitrobenzene [UN1662] [Poison]; Nitrobenzene, ReagentPlus(R), 99%; SBB040911; STL282724; AKOS000120124; AS01461; MCULE-5706199116; Nitrobenzene 10 microg/mL in Methanol; UN 1662; Nitrobenzene 100 microg/mL in Methanol; Nitrobenzene, ACS reagent, >=99.0%; NCGC00091398-01; NCGC00091398-03; NCGC00091398-04; NCGC00254526-01; NCGC00259299-01; SC-75249; Nitrobenzene, p.a., ACS reagent, 99.0%; Nitrobenzene, SAJ first grade, >=99.0%; FT-0613200; FT-0619248; FT-0622346; Hydroxy(phenyl)azane oxide (ACD/Name 4.0); N0758; Nitrobenzene, JIS special grade, >=99.5%; ST50214514; X6785; 6343-EP2272832A1; 6343-EP2275404A1; 6343-EP2275407A1; 6343-EP2277622A1; 6343-EP2279750A1; 6343-EP2284165A1; 6343-EP2284174A1; 6343-EP2289896A1; 6343-EP2289965A1; 6343-EP2295503A1; 6343-EP2298756A1; 6343-EP2301918A1; 6343-EP2301924A1; 6343-EP2308833A2; 6343-EP2308926A1; 6343-EP2311808A1; 6343-EP2311811A1; 6343-EP2311812A1; 6343-EP2311817A1; 6343-EP2311829A1; 6343-EP2314590A1; 6343-EP2316835A1; C06813; Nitrobenzene, PESTANAL(R), analytical standard; 112250-EP2284166A1; 112250-EP2298749A1; 170422-EP2272972A1; 170422-EP2272973A1; 170422-EP2275413A1; 170422-EP2277872A1; 170422-EP2287156A1; 177911-EP2277870A1; A845934; Q407290; F0001-2324
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| Activity |
Ki = 274100 nM
|
[1] | |||
| Compound Name |
N-(Cyclohexylmethyl)-N,N-dimethyl-3-(2-chloro-10H-phenothiazine-10-yl)propane-1-aminium
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL106108; BDBM50091152; [3-(2-Chloro-phenothiazin-10-yl)-propyl]-cyclohexylmethyl-dimethyl-ammonium (OFK003)
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| Activity |
Ki = 2000000 nM
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[12] | |||
| Compound Name |
3-(2-Chlorophenothiazin-10-yl)propyl-[(4-chlorophenyl)methyl]-dimethyl-ammonium
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL105769; BDBM50091149; (4-Chloro-benzyl)-[3-(2-chloro-phenothiazin-10-yl)-propyl]-dimethyl-ammonium (OFK002); N-(4-Chlorobenzyl)-N,N-dimethyl-3-(2-chloro-10H-phenothiazine-10-yl)propane-1-aminium; N-(4-chlorobenzyl)-3-(chloro-10H-phenothiazine-10-yl)-N,N-dimethylpropan-1-aminium chloride
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| Activity |
Ki = 2200000 nM
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[12] | |||
| Compound Name |
(E)-3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[(E)-3-(3,4-dihydroxy-phenyl)-acryloylamino]-propylamino}-butylamino)-propyl]-acrylamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL76994; BDBM50093207
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| Activity |
Ki > 10000000 nM
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[13] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 1 | Design, synthesis and biological evaluation of novel nitroaromatic compounds as potent glutathione reductase inhibitors. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5398-402. | ||||
| REF 2 | Inhibitors of Trypanosoma cruzi trypanothione reductase revealed by virtual screening and parallel synthesis. J Med Chem. 2005 Jul 28;48(15):4793-802. | ||||
| REF 3 | Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schis... J Med Chem. 2009 Oct 22;52(20):6474-83. | ||||
| REF 4 | Antiprotozoal and cytotoxicity evaluation of sulfonamide and urea analogues of quinacrine. Bioorg Med Chem Lett. 2001 Oct 8;11(19):2655-7. | ||||
| REF 5 | High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1280-3. | ||||
| REF 6 | Discovery of 2-iminobenzimidazoles as a new class of trypanothione reductase inhibitor by high-throughput screening. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1422-7. | ||||
| REF 7 | Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3229-32. | ||||
| REF 8 | Synthesis and evaluation of the antiparasitic activity of bis-(arylmethylidene) cycloalkanones. Eur J Med Chem. 2014 Jan;71:282-9. | ||||
| REF 9 | Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography. J Med Chem. 2011 Oct 13;54(19):6514-30. | ||||
| REF 10 | Inhibition of human glutathione reductase by 10-arylisoalloxazines: crystalline, kinetic, and electrochemical studies. J Med Chem. 1996 Mar 29;39(7):1549-54. | ||||
| REF 11 | Synthesis, activity, and molecular modeling of a new series of tricyclic pyridazinones as selective aldose reductase inhibitors. J Med Chem. 1996 Oct 25;39(22):4396-405. | ||||
| REF 12 | Use of an additional hydrophobic binding site, the Z site, in the rational drug design of a new class of stronger trypanothione reductase inhibitor, quaternary alkylammonium phenothiazines. J Med Chem. 2000 Aug 10;43(16):3148-56. | ||||
| REF 13 | Optimising inhibitors of trypanothione reductase using solid-phase chemistry. Bioorg Med Chem Lett. 2000 Oct 16;10(20):2367-9. | ||||
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