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BDBM50226438 (S)-5-((S)-1-carboxy-2-phenylethylamino)-4-((S)-2-(((2R,3S)-2-hydroxy-3-(4-(methylsulfonyl)benzamido)-4-phenylbutoxy)carbonyl)propanamido)-5-oxopentanoic acid::CHEMBL235820

SMILES: C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key: InChIKey=WSCSFYSZSCPBRU-NELKFLMZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50226438   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50226438
PNG
((S)-5-((S)-1-carboxy-2-phenylethylamino)-4-((S)-2-...)
Show SMILES C[C@H](NC(=O)OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H42N4O12S/c1-22(32(44)38-27(17-18-31(42)43)34(46)40-29(35(47)48)20-24-11-7-4-8-12-24)37-36(49)52-21-30(41)28(19-23-9-5-3-6-10-23)39-33(45)25-13-15-26(16-14-25)53(2,50)51/h3-16,22,27-30,41H,17-21H2,1-2H3,(H,37,49)(H,38,44)(H,39,45)(H,40,46)(H,42,43)(H,47,48)/t22-,27-,28-,29-,30-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of BACE1


J Med Chem 50: 5903-11 (2007)


Article DOI: 10.1021/jm070825k
BindingDB Entry DOI: 10.7270/Q2W95B0T
More data for this
Ligand-Target Pair