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Literature summary for 2.7.11.10 extracted from

  • Waelchli, R.; Bollbuck, B.; Bruns, C.; Buhl, T.; Eder, J.; Feifel, R.; Hersperger, R.; Janser, P.; Revesz, L.; Zerwes, H.G.; Schlapbach, A.
    Design and preparation of 2-benzamido-pyrimidines as inhibitors of IKK (2006), Bioorg. Med. Chem. Lett., 16, 108-112.
    View publication on PubMed
Search for more literature for 2.7.11.10

Application

Application Comment Organism
pharmacology IKK ia a good target for development of anti-rheumatic and anti-inflammatory drugs Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
(4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)phenyl)acetic acid IC50 for the IKKbeta is 0.0022 mM Homo sapiens
2-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid IC50 for the IKK complex is above 0.1 mM Homo sapiens
2-benzamido-pyrimidines diverse derivatives, synthesis and inhibitory potential determination, overview Homo sapiens
3-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid IC50 for the IKKbeta is 0.001 mM Homo sapiens
4-(1-benzothiophen-2-yl)-N-[3-chloro-4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 250 nM Homo sapiens
4-(1-benzothiophen-2-yl)-N-[3-methoxy-4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 150 nM Homo sapiens
4-(1-benzothiophen-2-yl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 0.0085 mM, cellular profile Homo sapiens
4-(1-benzothiophen-2-yl)-N-[4-([4-(dimethyl-amino)piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 80 nM, cellular profile Homo sapiens
4-(1-benzothiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 70 nM, cellular profile Homo sapiens
4-(5-(3-acetamino-3-methylbutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 800 nM Homo sapiens
4-(5-(3-amino-3-ethylpentyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 30 nM Homo sapiens
4-(5-(3-amino-3-methyl-but-1-ynyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 200 nM Homo sapiens
4-(5-(3-amino-3-methyl-butyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 40 nM Homo sapiens
4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amin IC50 for the IKK complex is 50 nM, cellular profile Homo sapiens
4-(5-(3-methoxypropyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 100 nM, cellular profile Homo sapiens
4-(5-(4-hydroxybutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine IC50 for the IKK complex is 40 nM, cellular profile Homo sapiens
4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid IC50 for the IKK complex is 0.018 mM, cellular profile Homo sapiens
N-(2-aminoethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide IC50 for the IKK complex is 0.0044 mM Homo sapiens
N-(2-dimethyl-aminoethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide IC50 for the IKK complex is 300 nM, cellular profile Homo sapiens
N-(2-pyrrolidin-1-yl-ethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide IC50 for the IKK complex is 500 nM Homo sapiens
N-(3-methyl-butyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide IC50 for the IKKbeta is above 0.1 mM Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + [IkappaB protein] Homo sapiens
-
 ADP + [IkappaB phosphoprotein]
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HeLa cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + [IkappaB protein]
-
 Homo sapiens ADP + [IkappaB phosphoprotein]
-
 ?

Subunits

Subunits Comment Organism
More IKK complex is composed of catalytic IKK1 and IKK2, and regulatory IKKgamma, i.e. NEMO, subunits Homo sapiens

Synonyms

Synonyms Comment Organism
IKK
-
 Homo sapiens
IKK complex
-
 Homo sapiens

Cofactor

Cofactor Comment Organism Structure
ATP
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00003
-
 IC50 for the IKK complex is 30 nM Homo sapiens 4-(5-(3-amino-3-ethylpentyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00004
-
 IC50 for the IKK complex is 40 nM Homo sapiens 4-(5-(3-amino-3-methyl-butyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00004
-
 IC50 for the IKK complex is 40 nM, cellular profile Homo sapiens 4-(5-(4-hydroxybutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00005
-
 IC50 for the IKK complex is 50 nM, cellular profile Homo sapiens 4-(5-(3-hydroxy-3-methylbutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amin
0.00007
-
 IC50 for the IKK complex is 70 nM, cellular profile Homo sapiens 4-(1-benzothiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00008
-
 IC50 for the IKK complex is 80 nM, cellular profile Homo sapiens 4-(1-benzothiophen-2-yl)-N-[4-([4-(dimethyl-amino)piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.0001
-
 IC50 for the IKK complex is 100 nM, cellular profile Homo sapiens 4-(5-(3-methoxypropyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00015
-
 IC50 for the IKK complex is 150 nM Homo sapiens 4-(1-benzothiophen-2-yl)-N-[3-methoxy-4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.0002
-
 IC50 for the IKK complex is 200 nM Homo sapiens 4-(5-(3-amino-3-methyl-but-1-ynyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.00025
-
 IC50 for the IKK complex is 250 nM Homo sapiens 4-(1-benzothiophen-2-yl)-N-[3-chloro-4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.0003
-
 IC50 300 nM for the IK cellular profile Homo sapiens N-(2-dimethyl-aminoethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide
0.0005
-
 IC50 for the IKK complex is 500 nM Homo sapiens N-(2-pyrrolidin-1-yl-ethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide
0.0008
-
 IC50 for the IKK complex is 800 nM Homo sapiens 4-(5-(3-acetamino-3-methylbutyl)thiophen-2-yl)-N-[4-([4-pyrrolidin-1-yl-piperidin-1-yl]carbonyl)phenyl]pyrimidin-2-amine
0.001
-
 IC50 for the IKKbeta is 0.001 mM Homo sapiens 3-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid
0.0022
-
 IC50 for the IKKbeta is 0.0022 mM Homo sapiens (4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)phenyl)acetic acid
0.0044
-
 IC50 for the IKK complex is 0.0044 mM Homo sapiens N-(2-aminoethyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide
0.0085
-
 IC50 for the IKK complex is 0.0085 mM, cellular profile Homo sapiens 4-(1-benzothiophen-2-yl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]pyrimidin-2-amine
0.018
-
 IC50 for the IKK complex is 0.018 mM, cellular profile Homo sapiens 4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid
0.1
-
 IC50 for the IKK complex is above 0.1 mM Homo sapiens 2-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzoic acid
0.1
-
 IC50 for the IKKbeta is above 0.1 mM Homo sapiens N-(3-methyl-butyl)-4-([4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino)benzamide