BDBM16271 (2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7S)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}octanamide::amide-urethane derived inhibitor 2c

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=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=QJAPFAZHNSZLJE-CWURXVSKSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16271   

TargetBeta-secretase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM16271((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  25nMAssay Description:Inhibition of human brain BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM16271((2R,4S,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpro...)
Affinity DataKi:  25.1nM ΔG°:  -10.8kcal/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