BDBM50333404 3-(R)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-methyl}-2-hydroxy-4-phenyl-butyrylamino)-benzoic acid::3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid::CHEMBL1229518

SMILES CC(C)C[C@@H](C(=O)NC[C@](CCc1ccccc1)(C(=O)Nc2cccc(c2)C(=O)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)c3[nH]nnn3)N

InChI Key InChIKey=FZZOBXKGDCMGAL-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333404   

TargetBeta-secretase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50333404(3-(R)-(2-{[(S)-2-((S)-2-{(S)-2-Amino-3-[(2H-tetraz...)
Affinity DataIC50: 190nMAssay Description:Inhibition of BACE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)