BDBM50305527 (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::(S)-4-{(R)-1-Hydroxy-2-[1-(3-isopropyl-phenyl)-cyclopropylamino]-ethyl}-19-methoxymethyl-11-oxa-3,16-diaza-tricyclo[15.3.1.1*6,10*]docosa-1(21),6(22),7,9,17,19-hexaen-2-one::CHEMBL595066

SMILES COCc1cc2NCCCCOc3cccc(C[C@H](NC(=O)c(c1)c2)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)C)c3

InChI Key InChIKey=GCZHKZTYTMTFGU-JHOUSYSJSA-N

Data  4 IC50

PDB links: 2 PDB IDs match this monomer.

  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 4 hits for monomerid = 50305527   

TargetBeta-secretase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50305527((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Affinity DataIC50:  20nMAssay Description:Inhibition of BACE1 expressed in APP-overexpressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCathepsin E(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50305527((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of cathepsin EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCathepsin D(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50305527((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Affinity DataIC50:  1nMAssay Description:Inhibition of cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetBeta-secretase 1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50305527((4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phe...)
Affinity DataIC50:  17nMAssay Description:Inhibition of human recombinant BACE1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)