BDBM50307361 CHEMBL591644::N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methylpropylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-(2-methoxy-ethoxy)-butyl]-5-(methanesulfonyl-methylamino)-N'-((R)-1-phenyl-ethyl)-isophthalamide::N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

SMILES COCCO[C@H](C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key InChIKey=RSTFVOGBJGGSOD-NDKACYJFSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50307361   

TargetBeta-secretase 1(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307361(CHEMBL591644 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...)
Affinity DataKi:  3.10nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
TargetCathepsin D(Homo sapiens (Human))
Stockholm University

Curated by ChEMBL
LigandPNGBDBM50307361(CHEMBL591644 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...)
Affinity DataKi:  240nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed