BDBM50317045 CHEMBL1097339::N1-((1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-4-(pyridin-3-ylsulfonyl)piperazin-2-yl)propan-2-yl)-5-methyl-N3,N3-dipropylisophthalamide

SMILES: CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccnc1

InChI Key: InChIKey=JHSBDGNXDGWDBT-YPKYBTACSA-N

Data: 1 KI

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 = 50317045   

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))	BDBM50317045 (CHEMBL1097339 | N1-((1S,2S)-3-(3,5-difluorophenyl)...) Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1cccnc1 |r| Show InChI InChI=1S/C33H41F2N5O5S/c1-4-10-39(11-5-2)33(43)25-14-22(3)13-24(18-25)32(42)38-29(17-23-15-26(34)19-27(35)16-23)31(41)30-21-40(12-9-37-30)46(44,45)28-7-6-8-36-20-28/h6-8,13-16,18-20,29-31,37,41H,4-5,9-12,17,21H2,1-3H3,(H,38,42)/t29-,30+,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition oh BACE1				Bioorg Med Chem Lett 20: 2837-42 (2010) Article DOI: 10.1016/j.bmcl.2010.03.050 BindingDB Entry DOI: 10.7270/Q2BK1CH7
					More data for this Ligand-Target Pair