BDBM50316867 CHEMBL1086716::N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(isobutylamino)-2,7-dimethyl-8-oxooctan-4-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-naphthamide

SMILES: CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12

InChI Key: InChIKey=VGVWFSMQDLHFAR-MOBIUZRASA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316867   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-secretase 1 (Homo sapiens (Human))	BDBM50316867 (CHEMBL1086716 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...) Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C34H45N3O4/c1-22(2)18-29(31(38)19-24(5)32(39)35-21-23(3)4)36-34(41)30(20-25-12-7-6-8-13-25)37-33(40)28-17-11-15-26-14-9-10-16-27(26)28/h6-17,22-24,29-31,38H,18-21H2,1-5H3,(H,35,39)(H,36,41)(H,37,40)/t24-,29+,30+,31+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins				Eur J Med Chem 45: 2089-94 (2010) Article DOI: 10.1016/j.ejmech.2010.01.044 BindingDB Entry DOI: 10.7270/Q2CF9Q86
					More data for this Ligand-Target Pair