BDBM50313902 3-((2-amino-2-benzylbutoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1093393

SMILES: CCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1

InChI Key: InChIKey=SWTIOLBIXUAGFK-QYWNIODHSA-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 = 50313902   

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))	BDBM50313902 (3-((2-amino-2-benzylbutoxy)methyl)-N-((R)-1-(4-flu...) Show SMILES CCC(N)(COCc1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C29H36FN3O4S/c1-5-29(31,18-22-9-7-6-8-10-22)20-37-19-23-15-25(17-27(16-23)33(3)38(4,35)36)28(34)32-21(2)24-11-13-26(30)14-12-24/h6-17,21H,5,18-20,31H2,1-4H3,(H,32,34)/t21-,29?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of BACE1				Bioorg Med Chem Lett 20: 1885-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.137 BindingDB Entry DOI: 10.7270/Q21Z44JX
					More data for this Ligand-Target Pair