Literature summary for 3.4.24.B10 extracted from

Oh, M.; Im, I.; Lee, Y.J.; Kim, Y.H.; Yoon, J.H.; Park, H.G.; Higashiyama, S.; Kim, Y.C.; Park, W.J.
Structure-based virtual screening and biological evaluation of potent and selective ADAM12 inhibitors (2004), Bioorg. Med. Chem. Lett., 14, 6071-6074.

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Inhibitors

Inhibitors	Comment	Organism	Structure
(2R)-N4-hydroxy-N1-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide	IC50: 5930 nM	Homo sapiens
N-[(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl]valine	IC50: 40.5 nM	Homo sapiens
N-[(2E)-3-(3-bromophenyl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl]glycine	IC50: 16.7 nM	Homo sapiens
N-[(2E)-3-(4-bromofuran-2-yl)-2-[[(5-bromofuran-2-yl)carbonyl]amino]prop-2-enoyl]alanine	IC50: 24.8 nM	Homo sapiens
N-[(2E)-3-furan-2-yl-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl]alanine	IC50: 42.3 nM	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Synonyms

Synonyms	Comment	Organism
ADAM12	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0000167	-	IC50: 16.7 nM	Homo sapiens	N-[(2E)-3-(3-bromophenyl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl]glycine
0.0000248	-	IC50: 24.8 nM	Homo sapiens	N-[(2E)-3-(4-bromofuran-2-yl)-2-[[(5-bromofuran-2-yl)carbonyl]amino]prop-2-enoyl]alanine
0.0000405	-	IC50: 40.5 nM	Homo sapiens	N-[(2E)-3-(2-fluorophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl]valine
0.0000423	-	IC50: 42.3 nM	Homo sapiens	N-[(2E)-3-furan-2-yl-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl]alanine
0.00593	-	IC50: 5930 nM	Homo sapiens	(2R)-N4-hydroxy-N1-[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxoethyl]-2-(2-methylpropyl)butanediamide

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Release 2023.1 (January 2023)