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BDBM50137699 (S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid ((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide::CHEMBL316181

SMILES: CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1

InChI Key: InChIKey=ISTMNWSCPKLVBY-KIFMHGOHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50137699   
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))		BDBM50137699
PNG
((S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl...)
Show SMILES CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H48N4O6/c1-20(2)28(32(42)34-19-25-15-11-8-12-16-25)37-30(40)22(5)17-27(38)26(18-24-13-9-7-10-14-24)36-31(41)23(6)35-33(43)29(39)21(3)4/h7-16,20-23,26-29,38-39H,17-19H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t22-,23+,26+,27+,28+,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 37n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Beta-secretase 1 in human HEK293 cells

Bioorg Med Chem Lett 14: 245-50 (2003)


BindingDB Entry DOI: 10.7270/Q2H41S0J
More data for this
Ligand-Target Pair