BDBM50212189 2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-benzonitrile::CHEMBL401180

SMILES C[C@@]1(N)Cc2cccc(CC[C@@H](NC(=O)c3cc(COC1=O)cc(c3)-c1ccccc1C#N)c1ccccc1)c2

InChI Key InChIKey=LTHZWJXJHAGGMX-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 50212189   

TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 68nMAssay Description:Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 27nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCathepsin D(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 4.80E+4nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetRenin(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 2.75E+5nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212189(2-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-...)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed