BDBM16040 (3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-methylmethanesulfonamido)phenyl)methyl (2R)-2-amino-2-methyl-3-phenylpropanoate::3-[4-benzyl-4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::tertiary carbinamine derived inhibitor 7

SMILES C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=PTQRJCCBUDSHTQ-WHLCRQNOSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16040   

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

LigandPNGBDBM16040((3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-...)
Affinity DataIC50:  27nMpH: 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
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16040((3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-...)
Affinity DataIC50:  163nMpH: 7.2Assay Description:Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16040((3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-(N-...)
Affinity DataIC50:  19nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair