BDBM50320578 CHEMBL1165545::N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3-trifluoromethyl-phenylamino)-propyl]-3-(1,1-dioxo-1lambda*6*-[1,2]thiazinan-2-yl)-5-ethylamino-benzamide

SMILES: CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O

InChI Key: InChIKey=DZZQSMYRZGWURM-WUFINQPMSA-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 = 50320578   

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))	BDBM50320578 (CHEMBL1165545 | N-[(1S,2R)-1-Benzyl-2-hydroxy-3-(3...) Show SMILES CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C30H35F3N4O4S/c1-2-34-25-16-22(17-26(19-25)37-13-6-7-14-42(37,40)41)29(39)36-27(15-21-9-4-3-5-10-21)28(38)20-35-24-12-8-11-23(18-24)30(31,32)33/h3-5,8-12,16-19,27-28,34-35,38H,2,6-7,13-15,20H2,1H3,(H,36,39)/t27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of BACE1				Eur J Med Chem 45: 2578-90 (2010) Article DOI: 10.1016/j.ejmech.2010.02.046 BindingDB Entry DOI: 10.7270/Q23778WK
					More data for this Ligand-Target Pair