BDBM50055892 CHEMBL3321931::US9884814, Compound 44

SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F

InChI Key InChIKey=DMSOTNGMODOHJR-LJQANCHMSA-N

Data  4 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 4 hits for monomerid = 50055892   

TargetRenin(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50055892(CHEMBL3321931 | US9884814, Compound 44)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Patent

US Patent
LigandPNGBDBM50055892(CHEMBL3321931 | US9884814, Compound 44)
Affinity DataIC50:  24nMpH: 5.5 T: 2°CAssay Description:In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCathepsin D(Bos taurus)
Merck

Curated by ChEMBL
LigandPNGBDBM50055892(CHEMBL3321931 | US9884814, Compound 44)
Affinity DataIC50:  620nMAssay Description:Inhibition of cathepsin D in bovine cartilage explants assessed as reduction in sulphated GAGs level after 3 days by spectrophotometric 1,9-dimethylm...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Patent

US Patent
LigandPNGBDBM50055892(CHEMBL3321931 | US9884814, Compound 44)
Affinity DataIC50:  24nMAssay Description:Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed