BDBM16270 (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-triazacyclohexadec-12-en-7-yl]formamido}octanamide::CHEMBL182892::amide-urethane derived inhibitor 3c

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=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=WHCHQGASEMPGEU-IZVUNNRLSA-N

Data  2 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 2 hits for monomerid = 16270   

TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16270((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant memapsin 2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM16270((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  14.2nM ΔG°:  -11.1kcal/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