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Literature summary for 1.1.1.95 extracted from

  • Ravez, S.; Corbet, C.; Spillier, Q.; Dutu, A.; Robin, A.D.; Mullarky, E.; Cantley, L.C.; Feron, O.; Frederick, R.
    alpha-Ketothioamide derivatives a promising tool to interrogate phosphoglycerate dehydrogenase (PHGDH) (2017), J. Med. Chem., 60, 1591-1597 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.1.1.95

Inhibitors

Inhibitors Comment Organism Structure
(2,3-dihydro-1H-benzotriazol-1-yl)(4-phenylpiperazin-1-yl)methanone 0.1 mM, 37% inhibition Homo sapiens
(3,4-dichlorophenyl)(morpholin-4-yl)methanethione 0.1 mM, 96% inhibition Homo sapiens
1-(2-bromophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
1-(2-chlorophenyl)-1H-pyrrole-2,5-dione 0.1 mM, 78% inhibition Homo sapiens
1-(4-bromophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
1-(4-chlorophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
1-(4-fluorophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
1-(4-iodophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
1-(4-methoxybenzene-1-sulfonyl)piperazine 0.1 mM, 35% inhibition Homo sapiens
2-(morpholin-4-yl)-1-(3-nitrophenyl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
2-(morpholin-4-yl)-1-(4-nitrophenyl)-2-sulfanylideneethan-1-one
-
 Homo sapiens
2-(morpholin-4-yl)-1-phenyl-2-sulfanylideneethan-1-one
-
 Homo sapiens
2-phenylmorpholine 0.1 mM, 61% inhibition Homo sapiens
3-pentyl-5,5-diphenylimidazolidine-2,4-dione 0.1 mM, 25% inhibition Homo sapiens
4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine 0.1 mM, 46% inhibition Homo sapiens
4-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]piperazine-1-carbothioamide 0.1 mM, 80% inhibition Homo sapiens
4-chloro-N-(2-nitrophenyl)benzamide 0.1 mM, 59% inhibition Homo sapiens
4-[(1S)-1-[(5-chloro-6-[2-[(2-hydroxyethyl)amino]-2-oxoethoxy]-1H-indole-2-carbonyl)amino]-2-hydroxyethyl]benzoic acid competitive, i.e. SPR Kd Homo sapiens
cyclohexa-2,5-diene-1,4-dione 0.1 mM, 100% inhibition Homo sapiens
ethyl 5-[(furan-2-carbonyl)amino]-3-methyl-4-(nitrilo-lambda4-sulfanyl)thiophene-2-carboxylate noncompetitive, i.e. CBR-5884 Homo sapiens
N-(4,6-dimethylpyridin-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbothioamide noncompetitive, i.e. NCT-503 Homo sapiens
N-(4,6-dimethylpyrimidin-2-yl)-4-nitrobenzamide 0.1 mM, 13% inhibition Homo sapiens
N-(diphenylmethyl)-4-nitrobenzamide 0.1 mM, 54% inhibition Homo sapiens
N-cyclohexyl-N'-phenylthiourea 0.1 mM, 28% inhibition Homo sapiens
naphthalene-1,4-dione 0.1 mM, 95% inhibition Homo sapiens
phenyl cyclohexylcarbamodithioate 0.1 mM, 51% inhibition Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3-phospho-D-glycerate + NAD+ Homo sapiens
-
 3-phosphooxypyruvate + NADH + H+
-
 r

Organism

Organism UniProt Comment Textmining
Homo sapiens O43175
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3-phospho-D-glycerate + NAD+
-
 Homo sapiens 3-phosphooxypyruvate + NADH + H+
-
 r

Synonyms

Synonyms Comment Organism
Phgdh
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
NAD+
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00987
-
 pH 8.8, 25°C Homo sapiens 1-(4-chlorophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
0.016
-
 pH 8.8, 25°C Homo sapiens (3,4-dichlorophenyl)(morpholin-4-yl)methanethione
0.0309
-
 pH 8.8, 25°C Homo sapiens 2-(morpholin-4-yl)-1-phenyl-2-sulfanylideneethan-1-one
0.0351
-
 pH 8.8, 25°C Homo sapiens 2-(morpholin-4-yl)-1-(4-nitrophenyl)-2-sulfanylideneethan-1-one
0.0689
-
 pH 8.8, 25°C Homo sapiens 1-(4-fluorophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
0.0752
-
 pH 8.8, 25°C Homo sapiens 4-chloro-N-(2-nitrophenyl)benzamide
0.0881
-
 pH 8.8, 25°C Homo sapiens 2-(morpholin-4-yl)-1-(3-nitrophenyl)-2-sulfanylideneethan-1-one
0.1307
-
 pH 8.8, 25°C Homo sapiens 1-(4-bromophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
0.1607
-
 pH 8.8, 25°C Homo sapiens 1-(2-bromophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one
0.1777
-
 pH 8.8, 25°C Homo sapiens 1-(4-iodophenyl)-2-(morpholin-4-yl)-2-sulfanylideneethan-1-one

General Information

General Information Comment Organism
drug target the enzyme is an attractive drug target in tumors that overexpress PHGDH or amplify the PHGDH gene Homo sapiens