BDBM16714 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 23

SMILES: C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1

InChI Key: InChIKey=OBKDIQQFGPQSMU-JYBRIGHHSA-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 = 16714   

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))	BDBM16714 (5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl...) Show SMILES C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C42H43N3O4/c1-28(32-17-9-5-10-18-32)43-27-40(47)39(23-31-15-7-4-8-16-31)45-42(49)36-25-34(38-22-14-13-21-37(38)30(3)46)24-35(26-36)41(48)44-29(2)33-19-11-6-12-20-33/h4-22,24-26,28-29,39-40,43,47H,23,27H2,1-3H3,(H,44,48)(H,45,49)/t28-,29-,39+,40-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	4.5	22
Merck Research Laboratories					Assay Description The assay was performed using a 96-well format on a HPLC equipped with four 96-well plate holders. Test compounds were preincubated with enzymes for ...				Bioorg Med Chem Lett 17: 823-7 (2007) Article DOI: 10.1016/j.bmcl.2006.10.051 BindingDB Entry DOI: 10.7270/Q2057D56
					More data for this Ligand-Target Pair