Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T93145 | Target Info | |||
| Target Name | Pyruvate dehydrogenase kinase (PDHK) | ||||
| Synonyms |
PDH kinase
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| Target Type | Clinical trial Target | ||||
| Gene Name | NO-GeName | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 10 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Nandrolone
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|
Approved | Compound Info | ||
| Synonyms |
Decadura; Estrenolone; Menidrabol; Nadrolone; Nandrolon; Nandrolona; Nandrolonum; Norandrostenolon;Norandrostenolone; Nortestonate; Nortestosterone; Nortestosteronum; Oestrenolon; LT03330030; U 2410; Decadura (TN); Durabolin (TN); Nandrolona [INN-Spanish]; Nandrolone (INN); Nandrolonum [INN-Latin]; Estr-4-en-3-one, 17beta-hydroxy-(8CI); Estr-4-en-3-one, 17-hydroxy-, (17beta)-(9CI); Estr-4-en-3-one, 17-hydroxy-, (17-beta)-(9CI); (17-beta)-17-Hydroxyestr-4-en-3-one; (17beta)-17-hydroxyestr-4-en-3-one; (8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one; 17-Hydroxy-Estr-4-Ene-3-One; 17-beta-Hydroestr-4-en-3-one; 17beta-Hydroxy-19-nor-4-androsten-3-one; 17beta-Hydroxy-19-norandrost-4-en-3-one; 17beta-Hydroxy-4-estren-3-one; 17beta-hydroxy-19-nor-4-androsten-3-one; 17beta-hydroxy-4-estren-3-one; 17beta-hydroxyestr-4-en-3-one; 19-Norandrostenolone; 19-Nortestosterone; 4-Estren-17beta-ol-3-one; 4-estren-17beta-ol-3-one
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| Activity |
IC50 = 120000 nM
|
[1] | |||
| Compound Name |
Dichloroacetate sodium
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|
Phase 1 | Compound Info | ||
| Synonyms |
Dichloroacetate sodium (pulmonary arterial hypertension), University of Alberta/Imperial College London
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| Activity |
EC50 = 130000 nM
|
[2] | |||
| Compound Name |
17beta-Hydroxy-5alpha-androstan-3-one oxime
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL304098; BDBM50217001; AKOS032429268; 17.beta.-Hydroxy-5.alpha.-androstan-3-one oxime
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| Activity |
IC50 = 51000 nM
|
[1] | |||
| Compound Name |
N-[(3E)-17beta-Hydroxyestra-4-ene-3-ylidene]glycine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL305511; BDBM50217002
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| Activity |
IC50 = 56000 nM
|
[1] | |||
| Compound Name |
N-(2-Chloro-6-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73660; BDBM50472706
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| Activity |
IC50 = 60000 nM
|
[3] | |||
| Compound Name |
3,3,3-Trifluoro-2-hydroxy-N-(2-methoxyphenyl)-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL71015; SCHEMBL6350417; BDBM50472691
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| Activity |
IC50 = 61500 nM
|
[3] | |||
| Compound Name |
3,3,3-Trifluoro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73578; BDBM50472645
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| Activity |
IC50 = 80000 nM
|
[3] | |||
| Compound Name |
3,3,3-Trifluoro-2-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL308412; BDBM50472682
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| Activity |
IC50 = 145000 nM
|
[3] | |||
| Compound Name |
N-(3-Acetylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73999; BDBM50472673
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| Activity |
IC50 = 170000 nM
|
[3] | |||
| Compound Name |
(2S)-N-Cyclohexyl-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL328892; BDBM50472323
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| Activity |
IC50 = 200000 nM
|
[2] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-(2-Benzoylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL73011; SCHEMBL8939401; BDBM50472680
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| Activity |
IC50 = 203000 nM
|
[3] | |||
| Compound Name |
3,3,3-Trifluoro-2-hydroxy-2-methyl-N-(3-nitrophenyl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL75930; BDBM50472666
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| Activity |
IC50 = 220000 nM
|
[3] | |||
| Compound Name |
Dichloroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
2,2-Dichloroacetic acid; Dichloracetic acid; Acetic acid, dichloro-; Dichloroethanoic acid; Urner's liquid; Dichlorethanoic acid; Bichloracetic acid; Acetic acid, 2,2-dichloro-; DCA (acid); DICHLORO-ACETIC ACID; Kyselina dichloroctova; UNII-9LSH52S3LQ; NSC 2654; MFCD00004223; 9LSH52S3LQ; NSC-2654; NCGC00091444-02; DSSTox_CID_428; Dichloroacetic acid, 99+%; DSSTox_RID_75580; DSSTox_GSID_20428; C2H2Cl2O2; Dichloroacetic acid (IUPAC); SMR000059158; Kyselina dichloroctova [Czech]; CCRIS 4016; HSDB 6894; EINECS 201-207-0; UN1764; BRN 1098596; AI3-18370; Dichloressigsaeure; DKhUK; dichloro acetic acid; WLN: QVYGG; ACMC-1BLM2; 2,2-dichloro-acetic acid; SCHEMBL7777; 4-02-00-00498 (Beilstein Handbook Reference); KSC377O2D; MLS000028893; MLS001074861; MLS001424165; CHEMBL13960; DTXSID2020428; CTK2H7721; KS-00000VOI; NSC2654; BDBM227588; HMS2051P22; HMS2232H11; HMS3370D12; HMS3393P22; ZINC3830689; Dichloroacetic acid, puriss., 99%; Tox21_111133; Tox21_202363; Tox21_300419; Acetic acid, dichloro- (8CI,9CI); ANW-37297; BBL011449; LMFA01090070; STL146561; AKOS005720869; Tox21_111133_1; CCG-101070; DB08809; MCULE-1246638159; NC00320; NE10301; UN 1764; Dichloroacetic acid, analytical standard; NCGC00091444-01; NCGC00091444-03; NCGC00091444-04; NCGC00167845-02; NCGC00254261-01; NCGC00259912-01; AS-14228; SC-18205; DB-056364; D0308; Dichloroacetic acid [UN1764] [Corrosive]; Dichloroacetic acid, biotech. grade, >=98%; FT-0624700; Dichloroacetic acid, ReagentPlus(R), >=99%; EN300-20014; C11149; 11029-EP2269610A2; 11029-EP2289510A1; 11029-EP2316457A1; 11029-EP2316458A1; 11029-EP2316825A1; 11029-EP2316826A1; 11029-EP2316827A1; 11029-EP2316828A1; 12408-EP2277848A1; 12408-EP2277878A1; 12408-EP2295503A1; 12408-EP2298772A1; 12408-EP2301918A1; 12408-EP2305649A1; 12408-EP2316974A1; Q412845; F2191-0226
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| Activity |
IC50 > 2000000 nM
|
[1] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Triterpene and diterpene inhibitors of pyruvate dehydrogenase kinase (PDK). Bioorg Med Chem Lett. 1999 Aug 2;9(15):2223-8. | ||||
| REF 2 | (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionamides are orally active inhibitors of pyruvate dehydrogenase kinase. J Med Chem. 1999 Jul 29;42(15):2741-6. | ||||
| REF 3 | Anilides of (R)-trifluoro-2-hydroxy-2-methylpropionic acid as inhibitors of pyruvate dehydrogenase kinase. J Med Chem. 2000 Jun 1;43(11):2248-57. | ||||
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