BDBM50366847 CHEMBL1791012

SMILES: CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O

InChI Key: InChIKey=OYUWAAXUJRTVGW-DFNYOQGASA-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 = 50366847   

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))	BDBM50366847 (CHEMBL1791012) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(c1)C(O)=O Show InChI InChI=1S/C36H51N5O9/c1-7-21(4)32(39-23(6)42)35(48)38-22(5)33(46)41-28(15-20(2)3)30(44)18-31(45)40-29(17-24-11-13-27(43)14-12-24)34(47)37-19-25-9-8-10-26(16-25)36(49)50/h8-14,16,20-22,28-30,32,43-44H,7,15,17-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,42)(H,40,45)(H,41,46)(H,49,50)/t21-,22-,28-,29-,30-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human beta-secretase				Bioorg Med Chem Lett 13: 4335-9 (2003) BindingDB Entry DOI: 10.7270/Q2513ZR3
					More data for this Ligand-Target Pair