BDBM71635 MLS000073302::N'-[2-(tert-butylamino)-1-(2,3-dimethoxyphenyl)-2-oxidanylidene-ethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enyl-butanediamide::N'-[2-(tert-butylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide::N'-[2-(tert-butylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-N'-prop-2-enylbutanediamide::N'-allyl-N'-[2-(tert-butylamino)-1-(2,3-dimethoxyphenyl)-2-keto-ethyl]-N-(5-methylisoxazol-3-yl)succinamide::N-Allyl-N-[tert-butylcarbamoyl-(2,3-dimethoxy-phenyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide::SMR000006077::cid_648349

SMILES CC(C)(O)c1csc([S@@](N)(=O)=NC(=O)Nc2c3c(c(C#N)c4c2CCC4)CCC3)c1

InChI Key InChIKey=YFGHTZHHTZVJHX-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 71635   

LigandChemical structure of BindingDB Monomer ID 71635BDBM71635(US11724992, Example 113 | US11724992, Compound 122...)
Affinity DataIC50: 24nMAssay Description:THP-1 cells were purchased from the American Type Culture Collection and sub-cultured according to instructions from the supplier. Prior to experimen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2023
Entry Details
US Patent