BDBM50323494 CHEMBL1209105::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(tetrahydrofuran-2-yl)phenyl)cyclohexylamino)butan-2-yl)acetamide

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1

InChI Key: InChIKey=ABEHCBWGIABROV-AJRFNQODSA-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 = 50323494   

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))	BDBM50323494 (CHEMBL1209105 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCCO1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(10-3-2-4-11-28)22-8-5-7-21(16-22)27-9-6-12-35-27/h5,7-8,13-14,16-17,25-27,31,34H,2-4,6,9-12,15,18H2,1H3,(H,32,33)/t25-,26+,27?/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 20: 4789-94 (2010) Article DOI: 10.1016/j.bmcl.2010.06.112 BindingDB Entry DOI: 10.7270/Q23N24CF
					More data for this Ligand-Target Pair