BDBM50212180 CHEMBL400530::N-((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)-N-propyl-methanesulfonamide

SMILES CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O

InChI Key InChIKey=LLXSJJHSWWXYCR-GRKNLSHJSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50212180   

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

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  2nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  5nMAssay Description:Inhibition of BACE1-mediated sAPP-NF processing in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  9.70E+4nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  1.69E+5nMAssay Description:Inhibition of reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50212180(CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-d...)
Affinity DataIC50:  5.40E+4nMAssay Description:Inhibition of BACE2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed