BDBM50274090 4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-5-(3,5-difluoro-phenoxy)-3-hydroxy-pentanoylamino]-3-methyl-butyrylamino}-methyl)-benzoic acid methyl ester::CHEMBL448501

SMILES COC(=O)c1ccc(CNC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](COc2cc(F)cc(F)c2)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C)cc1

InChI Key InChIKey=JRIIEYUXFNKBIY-SFRFHSQUSA-N

Data  1 KI  1 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 2 hits for monomerid = 50274090   

TargetCathepsin D(Homo sapiens (Human))
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274090(4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...)
Affinity DataKi:  15nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
LinköPing University

Curated by ChEMBL
LigandPNGBDBM50274090(4-({(S)-2-[(3S,4S)-4-[(S)-2-((S)-2-tert-Butoxycarb...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human BACE1 expressed in Escherichia coli BL21(DE3) by resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed