BDBM50313900 3-((2-amino-2-benzyl-3,3-difluoropropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide::CHEMBL1084135

SMILES: C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1

InChI Key: InChIKey=XUQLLZRPXRLNKI-OJQMSQGESA-N

Data: 2 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 2 hits for monomerid = 50313900   

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))	BDBM50313900 (3-((2-amino-2-benzyl-3,3-difluoropropoxy)methyl)-N...) Show SMILES C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H32F3N3O4S/c1-19(22-9-11-24(29)12-10-22)33-26(35)23-13-21(14-25(15-23)34(2)39(3,36)37)17-38-18-28(32,27(30)31)16-20-7-5-4-6-8-20/h4-15,19,27H,16-18,32H2,1-3H3,(H,33,35)/t19-,28?/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	925	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50313900 (3-((2-amino-2-benzyl-3,3-difluoropropoxy)methyl)-N...) Show SMILES C[C@@H](NC(=O)c1cc(COCC(N)(Cc2ccccc2)C(F)F)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H32F3N3O4S/c1-19(22-9-11-24(29)12-10-22)33-26(35)23-13-21(14-25(15-23)34(2)39(3,36)37)17-38-18-28(32,27(30)31)16-20-7-5-4-6-8-20/h4-15,19,27H,16-18,32H2,1-3H3,(H,33,35)/t19-,28?/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	>2.00E+4	n/a	n/a	n/a	n/a	7.2	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human BACE1 expressed in mouse fibroblast cells assessed as inhibition of secreted APPbeta-NF production at pH 7.2				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