BDBM16712 5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(phenylamino)butan-2-yl]-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide::Peptidomimetic HEA inhibitor, 21

SMILES: C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1

InChI Key: InChIKey=HIUMDZMSWXEDAV-IBBVPZAZSA-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 = 16712   

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))	BDBM16712 (5-(2-acetylphenyl)-1-N-[(2S,3R)-3-hydroxy-1-phenyl...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C40H39N3O4/c1-27(30-16-8-4-9-17-30)42-39(46)32-23-31(36-21-13-12-20-35(36)28(2)44)24-33(25-32)40(47)43-37(22-29-14-6-3-7-15-29)38(45)26-41-34-18-10-5-11-19-34/h3-21,23-25,27,37-38,41,45H,22,26H2,1-2H3,(H,42,46)(H,43,47)/t27-,37+,38-/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	110	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