Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40016 | Target Info | |||
| Target Name | Glucocorticoid receptor (NR3C1) | ||||
| Synonyms |
Nuclear receptor subfamily 3 group C member 1; GRL; GR
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| Target Type | Successful Target | ||||
| Gene Name | NR3C1 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 18 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Bicalutamide
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Approved | Compound Info | ||
| Synonyms |
Casodex; Cosudex; Propanamide; Raffolutil; Astra brand of bicalutamide; AstraZeneca brand of bicalutamide; Zeneca brand of bicalutamide; Calutide (TN); Casodex (TN); Cosudex (TN); KS-1161; Kalumid (TN); Bicalutamide [USAN:INN:BAN]; Bicalutamide (JAN/USP/INN); Casodex, Cosudex, Calutide, Kalumid, Bicalutamide; N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide; (+-)-4'-Cyano-alpha,alpha,alpha-trifluoro-3-((p-fluorophenyl)sulfonyl)-2-methyl-m-lactotoluidide; 4'-cyano-3-(4-fluorophenylsulfonyl)-2-hydroxy-2-methyl-3'-(trifluoromethyl)propionanilide
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
Ellipticine
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Investigative | Compound Info | ||
| Synonyms |
ellipticine; 519-23-3; Elliptisine; 5,11-Dimethyl-6H-pyrido[4,3-b]carbazole; NSC 71795; TCMDC-125546; NSC-71795; 5,11-Dimethyl-6H-pyrido(4,3-b)carbazole; ICIG 770; 5,11-Dimethylpyrido[4,3-b]carbazole; CCRIS 2003; CP 5; UNII-117VLW7484; NSC71795; EINECS 208-264-0; CHEMBL123; BRN 0221300; MLS000736786; MLS000028487; CHEBI:4776; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-; CCG-36483; 117VLW7484; SMR000058370; 6H-Pyrido[4,3-b]carbazole,5,11-dimethyl-; 6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-; SR-01000003083; elliptecine; Ellipticin
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| Activity |
IC50 = 90000 nM
|
[2] | |||
| Compound Name |
9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
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Investigative | Compound Info | ||
| Synonyms |
9-Methoxyellipticine; Methoxyelliptione; Methoxyellipticine; 9-Methoxyellipticin; 9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole; 10371-86-5; ICI 180 base; Ellipticine, 9-methoxy-; AT 181; ICIG 772; NSC69187; NSC 69187; B 656501 K003; 9-Methoxy-Ellipticine; UNII-U0924292N9; EINECS 233-812-0; BRN 0279742; 9-Methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole; CHEMBL19954; MLS000736760; C18H16N2O; BKRMCDAOAQWNTG-UHFFFAOYSA-N; NSC-69187; 6H-Pyrido[4,3-b]carbazole, 9-methoxy-5,11-dimethyl-; 6H-Pyrido(4,3-b)carbazole, 5,11-dimethyl-9-me
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| Activity |
IC50 = 90000 nM
|
[2] | |||
| Compound Name |
(5s)-2-{[(1s)-1-(2-Fluorophenyl)ethyl]amino}-5-Methyl-5-(Trifluoromethyl)-1,3-Thiazol-4(5h)-One
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL218006; (5S)-2-[[(1S)-1-(2-Fluorophenyl)ethyl]amino]-5-methyl-5-(trifluoromethyl)-4(5H)-thiazolone; (S)-2-((S)-1-(2-fluorophenyl)ethylamino)-5-methyl-5-(trifluoromethyl)thiazol-4(5H)-one; SCHEMBL1690433; BDBM13754; 2-(S)-Phenethylamine analog 17; DB07310; Q27096537
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| Activity |
IC50 ~ 50000 nM
|
[3] | |||
| Compound Name |
24-Piperazine-3alpha,7beta-dihydroxy-5beta-cholanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1649688; BDBM50334951
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| Activity |
EC50 = 50800 nM
|
[4] | |||
| Compound Name |
Sundaicumone B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL524715; BDBM50269240
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| Activity |
EC50 = 75000 nM
|
[5] | |||
| Compound Name |
Dinorursodeoxycholic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1254991; 24-dinor-3alpha,7beta-dihydroxy-5beta-cholan-22-oic acid; BDBM50334959; LMST04050008
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| Activity |
EC50 = 99700 nM
|
[4] | |||
| Compound Name |
1-(2-Phenoxyethyl)-3-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2(3H)-imine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL247772; Oprea1_128254; Oprea1_676379; DNDI985009; ZINC716198; BDBM50335543; EU-0038889
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N'-[(E)-(5-Bromo-2-hydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086965; N'-(5-bromo-2-hydroxybenzylidene)-3-hydroxy-2-naphthohydrazide; ARONIS019045; SCHEMBL5995854; CHEMBL4474230; SCHEMBL16271241; BDBM50420542; STK014821; ZINC15776805; AKOS000486074; ST036491
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2R,5S)-4-[4-Cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL197595; SCHEMBL4597175; BDBM18656; YM580; YM-580; N-Arylpiperazine-1-carboxamide Derivative, 33a
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| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
N'-[(E)-(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]naphtho[2,1-b]furan-2-carbohydrazide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086964; MLS001146456; SCHEMBL14983773; BDBM50420540; STK698761; AKOS003221312; SMR000646823
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3alpha,7beta-Dihydroxy-5-beta-cholan-24-nitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1255075; SCHEMBL19278601; BDBM50334956
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| Activity |
EC50 = 101000 nM
|
[4] | |||
| Compound Name |
Norursodeoxycholic Acid
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Investigative | Compound Info | ||
| Synonyms |
24-Norursodeoxycholic acid; nor-ursodeoxycholic acid; UNII-8A5G600D9V; CHEMBL1254990; 8A5G600D9V; 24-nor-3alpha,7beta-dihydroxy-5beta-cholan-23-oic acid; Nor-udca; SCHEMBL18472036; EX-A4681; 24-Norcholan-23-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-; BDBM50334958; LMST04060021; ZINC31520504; CS-6534; HY-101737; Q27270089
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| Activity |
EC50 = 105300 nM
|
[4] | |||
| Compound Name |
24-Phenethyl-3alpha,7beta-dihydroxy-5beta-cholanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1649692; BDBM50334955; ZINC66102119; AKOS024459187; MCULE-4388683107
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| Activity |
EC50 = 109000 nM
|
[4] | |||
| Compound Name |
24-Benzyl-3alpha,7beta-hydroxy-5beta-cholanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1649690; BDBM50334953; ZINC66102114; AKOS024459191; MCULE-4804977857; N-Benzyl-3alpha,7beta-dihydroxy-5beta-cholan-24-oic amide
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| Activity |
EC50 = 109500 nM
|
[4] | |||
| Compound Name |
24-alpha-Methylbenzyl-3alpha,7beta-dihydroxy-5beta-cholanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1649691; BDBM50334954
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| Activity |
EC50 = 123500 nM
|
[4] | |||
| Compound Name |
3alpha,7beta-Dihydroxy-24-bisnor-5beta-cholane-22-nitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1255076; BDBM50334957
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|
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| Activity |
EC50 = 130000 nM
|
[4] | |||
| Compound Name |
Sundaicumone A
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL501713; BDBM50269239
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|
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| Activity |
EC50 = 173000 nM
|
[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Ursodeoxycholic acid
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|
Approved | Compound Info | ||
| Synonyms |
Actigall; Antigall; Arsacol; Delursan; Destolit; Deursil; Litursol; Lyeton; Peptarom; Solutrat; UDCA; UDCS; UrSO; Urosiol; Ursacol; Ursobilin; Ursochol; Ursodamor; Ursodeoxycholate; Ursodiol; Ursofalk; Ursolvan; Ursosan; Acide ursodesoxycholique; Acido ursodeossicolico; Acido ursodeossicolico [Italian]; Acido ursodeoxicolico; Acidum ursodeoxycholicum; Deoxyursocholic Acid; Sodium Ursodeoxycholate; Ursacholic Acid; Urso DS; Urso Forte; Ursodeoxy cholic acid; Ursodesoxycholicacid; Ursodexycholic Acid; Ursodiol [USAN]; IU5; U0030; Urso 250; Acide ursodesoxycholique [INN-French]; Acido ursodeoxicolico [INN-Spanish]; Acidum ursodeoxycholicum [INN-Latin]; Actigall (TN); Cholit-ursan; Deursil (TN); Dom-ursodiol c; ISO-URSODEOXYCHOLIC ACID; PHL-ursodiol c; PMS-ursodiol c; U-9000; Urso (TN); Urso Forte (TN); Ursodiol (USP); Ursosan (TN); Ursodeoxycholic acid (JP15/INN); Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv, Ursodiol; Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-beta)-(9CI); (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid; (3alpha,5beta,7beta,8xi)-3,7-dihydroxycholan-24-oic acid; (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid; 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3-alpha,7-beta-diol; 3 alpha,7 beta-Dihydroxy-5 beta-cholan-24-oic Acid; 3,7-Dihydroxycholan-24-oic acid; 3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid; 3-alpha,7-beta-Dihydroxycholanic acid; 3-alpha,7-beta-Dioxycholanic acid; 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta-Dihydroxy-5beta-cholanic acid; 5beta-Cholan-24-oic acid-3alpha,7beta-diol; 5beta-Cholanic Acid-3alpha,7beta-diol; 7-beta-Hydroxylithocholic acid; 7beta-Hydroxylithocholic acid
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| Activity |
EC50 = 298700 nM
|
[4] | |||
| Compound Name |
(9R,10S,11S,13S,16R,17R)-17-(2-Bromoacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL300409; BDBM50012202
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| Activity |
EC50 = 8300000000 nM
|
[8] | |||
| Compound Name |
(9R,10S,11S,13S,16R,17R)-9-Fluoro-11,17-dihydroxy-17-[2-(2-isothiocyanatoethylsulfanyl)acetyl]-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL48439; BDBM50012201
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| Activity |
EC50 = 9100000000 nM
|
[8] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | (+)-(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3- yl]piperazine-1-carboxamide (YM580) as an orally po... J Med Chem. 2006 Jan 26;49(2):716-26. | ||||
| REF 2 | Alkaloids from the Australian rainforest tree Ochrosia moorei. J Nat Prod. 2008 Jun;71(6):1063-5. | ||||
| REF 3 | 2-(S)-phenethylaminothiazolones as potent, orally efficacious inhibitors of 11beta-hydroxysteriod dehydrogenase type 1. J Med Chem. 2007 Feb 8;50(3):429-32. | ||||
| REF 4 | Ursodeoxycholic acid amides as novel glucocorticoid receptor modulators. J Med Chem. 2011 Jan 13;54(1):122-30. | ||||
| REF 5 | Sundaicumones A and B, polyprenylated acylphloroglucinol derivatives from Calophyllumsundaicum with weak activity against the glucocorticoid receptor. J Nat Prod. 2006 Apr;69(4):707-9. | ||||
| REF 6 | Trypanothione reductase high-throughput screening campaign identifies novel classes of inhibitors with antiparasitic activity. Antimicrob Agents Chemother. 2009 Jul;53(7):2824-33. | ||||
| REF 7 | "True" antiandrogens-selective non-ligand-binding pocket disruptors of androgen receptor-coactivator interactions: novel tools for prostate cancer. J Med Chem. 2012 Feb 23;55(4):1635-44. | ||||
| REF 8 | Dexamethasone 21-(beta-isothiocyanatoethyl) thioether: a new affinity label for glucocorticoid receptors. J Med Chem. 1991 Jun;34(6):1762-7. | ||||
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