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Literature summary for 3.4.22.27 extracted from

  • Irie, O.; Kosaka, T.; Ehara, T.; Yokokawa, F.; Kanazawa, T.; Hirao, H.; Iwasaki, A.; Sakaki, J.; Teno, N.; Hitomi, Y.; Iwasaki, G.; Fukaya, H.; Nonomura, K.; Tanabe, K.; Koizumi, S.; Uchiyama, N.; Bevan, S.J.; Malcangio, M.; Gentry, C.; Fox, A.J.; Yaqoob, M.; Culshaw, A.J.; Allan Hallett, A.J.
    Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain (2008), J. Med. Chem., 51, 5502-5505.
    View publication on PubMed
Search for more literature for 3.4.22.27

Application

Application Comment Organism
drug development discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain, cathepsin S inhibitors are attractive targets as immunological therapeutic agents Mus musculus
drug development discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain, cathepsin S inhibitors are attractive targets as immunological therapeutic agents Homo sapiens
drug development discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain, cathepsin S inhibitors are attractive targets as immunological therapeutic agents Rattus norvegicus

Protein Variants

Protein Variants Comment Organism
G137C recombinant rat Cat S mutant shows no inhibition by 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile or 6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile or 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile Rattus norvegicus

Inhibitors

Inhibitors Comment Organism Structure
6-[[4-(4-acetyl-1,4-diazepan-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Mus musculus
6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Rattus norvegicus
6-[[4-(4-acetylpiperazin-1-yl)-3-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cycloheptylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Mus musculus
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Rattus norvegicus
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclopentylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Mus musculus
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Rattus norvegicus
6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4-chlorophenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
lysosome
-
 Mus musculus 5764
-
lysosome
-
 Homo sapiens 5764
-
lysosome
-
 Rattus norvegicus 5764
-

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-
Mus musculus
-
-
-
Rattus norvegicus Q02765
-
-

Source Tissue

Source Tissue Comment Organism Textmining
B-lymphocyte
-
 Mus musculus
-
B-lymphocyte
-
 Homo sapiens
-
B-lymphocyte
-
 Rattus norvegicus
-
dendritic cell
-
 Mus musculus
-
dendritic cell
-
 Homo sapiens
-
dendritic cell
-
 Rattus norvegicus
-
macrophage
-
 Mus musculus
-
macrophage
-
 Homo sapiens
-
macrophage
-
 Rattus norvegicus
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
Z-Leu-Leu-Arg-7-amido-4-methylcoumarin + H2O
-
 Mus musculus Z-Leu-Leu-Arg + 7-amino-4-methylcoumarin
-
 ?
Z-Leu-Leu-Arg-7-amido-4-methylcoumarin + H2O
-
 Homo sapiens Z-Leu-Leu-Arg + 7-amino-4-methylcoumarin
-
 ?
Z-Leu-Leu-Arg-7-amido-4-methylcoumarin + H2O
-
 Rattus norvegicus Z-Leu-Leu-Arg + 7-amino-4-methylcoumarin
-
 ?

Synonyms

Synonyms Comment Organism
Cat S
-
 Mus musculus
Cat S
-
 Homo sapiens
Cat S
-
 Rattus norvegicus
cathepsin S
-
 Mus musculus
cathepsin S
-
 Homo sapiens
cathepsin S
-
 Rattus norvegicus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000004
-
 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile with Z-Leu-Leu-Arg-7-amido-4-methylcoumarin as substrate Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
 rat mutant G137C Cat S, IC50 is above 0.01 mM, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
additional information
-
 rat mutant G137C Cat S, IC50 is above 0.01 mM, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
additional information
-
 rat mutant G137C Cat S, IC50 is above 0.01 mM, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.00001
-
 mus Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcoumarin as substrate Mus musculus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.00001
-
 rat Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.000012
-
 rat Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.000014
-
 mus Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcoumarin as substrate Mus musculus 6-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxy]methyl]-7-(2-cyclohexylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.00002
-
 mus Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcoumarin as substrate Mus musculus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
0.000028
-
 rat Cat S, Z-Leu-Leu-Arg-7-amido-4-methylcumarin as substrate Rattus norvegicus 6-[[4-(4-acetylpiperazin-1-yl)phenoxy]methyl]-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile