BDBM16041 3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide::3-{5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-(N-methylmethanesulfonamido)benzamide::CHEMBL219601::L-001233771::oxadiazoyl tertiary carbinamine 8

SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key InChIKey=QEJSJQVKMSAHHX-KWMCUTETSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 16041   

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

LigandPNGBDBM16041(3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...)
Affinity DataIC50:  12nMpH: 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

LigandPNGBDBM16041(3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...)
Affinity DataIC50:  60nMpH: 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

LigandPNGBDBM16041(3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...)
Affinity DataIC50:  12nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM16041(3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-o...)
Affinity DataIC50:  9nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair