BDBM16264 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S,12E)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclotetradec-12-en-7-yl]formamido}octanamide::amide-urethane derived inhibitor 3a

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=ZJFJZIJWYSPFKR-VGPMGSKTSA-N

Data  1 KI

  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 = 16264   

TargetBeta-secretase 1(Homo sapiens (Human))
University Of Illinois At Chicago

LigandPNGBDBM16264((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  87.2nM ΔG°:  -10.0kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed