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Literature summary for 3.4.22.27 extracted from

  • Irie, O.; Yokokawa, F.; Ehara, T.; Iwasaki, A.; Iwaki, Y.; Hitomi, Y.; Konishi, K.; Kishida, M.; Toyao, A.; Masuya, K.; Gunji, H.; Sakaki, J.; Iwasaki, G.; Hirao, H.; Kanazawa, T.; Tanabe, K.; Kosaka, T.; Hart, T.W.; Hallett, A.
    4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors (2008), Bioorg. Med. Chem. Lett., 18, 4642-4646.
    View publication on PubMed
Search for more literature for 3.4.22.27

Application

Application Comment Organism
drug development Cat S is an attractive therapeutic target and selective Cat S inhibitors may also modulate a number of other diseases such as rheumatoid arthritis, multiple sclerosis, myasthenia gravis, asthma, atherosclerosis and neuropathic pain Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-[(cyclohexylmethyl)(methyl)amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-[(cyclohexylmethyl)amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-N-(2-phenylethyl)-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-[[(4,4-difluorocyclohexyl)methyl]amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-4-[[(4,4-dimethylcyclohexyl)methyl]amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-(1-methyl-4-phenylpiperidin-4-yl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-(2-phenylethyl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-(4,5-dimethoxybiphenyl-2-yl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-[(1R)-2-pyridin-2-yl-1-(pyrrolidin-1-ylmethyl)ethyl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
2-cyano-N-[5-[(1-methylpiperidin-4-yl)oxy]biphenyl-2-yl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-2-carbonitrile
-
 Homo sapiens
5-bromo-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-2-carbonitrile
-
 Homo sapiens
N-(4-benzyl-1-methylpiperidin-4-yl)-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-benzyl-2-cyano-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-benzyl-2-cyano-4-[(1-methylpiperidin-4-yl)oxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-benzyl-2-cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-[(1R)-1-benzyl-2-pyrrolidin-1-ylethyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-[(1R)-1-benzyl-2-pyrrolidin-1-ylpropyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens
N-[(1S)-1-benzyl-2-pyrrolidin-1-ylethyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
lysosome
-
 Homo sapiens 5764
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
additional information Homo sapiens major role of Cat S in these cells is the processing of the major histocompatibility complex class II associated invariant chain, which is essential for the normal functioning of the immune system, Cat S is largely responsible for the last proteolytic cleavage step of the invariant chain that produces class II-associated leupeptin induced peptide ?
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P25774
-
-

Source Tissue

Source Tissue Comment Organism Textmining
B-lymphocyte
-
 Homo sapiens
-
culture condition:antigen-presenting cell
-
 Homo sapiens
-
dendritic cell
-
 Homo sapiens
-
macrophage
-
 Homo sapiens
-
spleen
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
L-Leu-Leu-Arg-7-amido-4-methylcoumarin + H2O
-
 Homo sapiens L-Leu-Leu-Arg + 7-amino-4-methylcoumarin
-
 ?
additional information major role of Cat S in these cells is the processing of the major histocompatibility complex class II associated invariant chain, which is essential for the normal functioning of the immune system, Cat S is largely responsible for the last proteolytic cleavage step of the invariant chain that produces class II-associated leupeptin induced peptide Homo sapiens ?
-
 ?

Synonyms

Synonyms Comment Organism
Cat S
-
 Homo sapiens
cathepsin S
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
additional information
-
 IC50 is below 0.001 M, inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-N-(2-phenylethyl)-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
additional information
-
 IC50 is below 0.001 M, inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-benzyl-2-cyano-4-[(1-methylpiperidin-4-yl)methoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
additional information
-
 IC50 is below 0.001 M, inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-benzyl-2-cyano-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
additional information
-
 IC50 is below 0.001 M, inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-[(1R)-1-benzyl-2-pyrrolidin-1-ylethyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000001
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-benzyl-2-cyano-4-[(1-methylpiperidin-4-yl)oxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000002
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-methyl-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000002
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 5-bromo-4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-2-carbonitrile
0.000002
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-(4-benzyl-1-methylpiperidin-4-yl)-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000003
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-[5-[(1-methylpiperidin-4-yl)oxy]biphenyl-2-yl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000004
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-[(1R)-2-pyridin-2-yl-1-(pyrrolidin-1-ylmethyl)ethyl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000006
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000007
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-(1-methyl-4-phenylpiperidin-4-yl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000014
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-(cyclohexylmethoxy)-N-(2-phenylethyl)pyrimidine-5-carboxamide
0.000015
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-(2-phenylethyl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000021
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-[(1R)-1-benzyl-2-pyrrolidin-1-ylpropyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000022
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-[(cyclohexylmethyl)amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
0.000022
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 4-[2-(1-methylpiperidin-4-yl)ethoxy]-6-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-2-carbonitrile
0.000022
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-[[(4,4-difluorocyclohexyl)methyl]amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
0.000023
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens N-[(1S)-1-benzyl-2-pyrrolidin-1-ylethyl]-2-cyano-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000024
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-N-(4,5-dimethoxybiphenyl-2-yl)-4-[(spiro[2.5]oct-6-ylmethyl)amino]pyrimidine-5-carboxamide
0.000032
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-[(cyclohexylmethyl)(methyl)amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
0.000093
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-[[(4,4-dimethylcyclohexyl)methyl]amino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
0.00013
-
 inhibition is determined by a fluorometric assay with recombinant Cat S Homo sapiens 2-cyano-4-(cyclohexylamino)-N-(2-phenylethyl)pyrimidine-5-carboxamide