BDBM16036 2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}-carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate::2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)benzoate::L-001151442::tertiary carbinamine ester 3

SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=JVYHUOIVVLDSHT-OJQMSQGESA-N

Data  2 IC50

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 = 16036   

TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM16036(2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fl...)
Affinity DataIC50:  193nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM16036(2-Amino-2-benzyl-3-hydroxypropyl-3-({[(1R)-1-(4-fl...)
Affinity DataIC50:  200nMpH: 4.5 T: 2°CAssay Description:For BACE activity assay using recombinant MBP-APP_NFEV substrate, BACE was incubated with purified MBP-APP_NFEV substrate in reaction buffer containi...More data for this Ligand-Target Pair