BDBM50323492 CHEMBL1209107::N-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(1-(3-(2-oxopyrrolidin-1-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)N1CCCC1=O

InChI Key: InChIKey=WLNJAXBWILAYMG-IZZNHLLZSA-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 = 50323492   

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))	BDBM50323492 (CHEMBL1209107 | 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)N1CCCC1=O |r| Show InChI InChI=1S/C28H35F2N3O3/c1-19(34)32-25(15-20-13-22(29)17-23(30)14-20)26(35)18-31-28(10-3-2-4-11-28)21-7-5-8-24(16-21)33-12-6-9-27(33)36/h5,7-8,13-14,16-17,25-26,31,35H,2-4,6,9-12,15,18H2,1H3,(H,32,34)/t25-,26+/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	820	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
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