BDBM50341184 (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-cyclopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol::(3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide::CHEMBL1614769

SMILES: O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cccc(c1)C1CC1

InChI Key: InChIKey=NDEIDRFQAYLHLT-CBQOVEMMSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50341184   

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))	BDBM50341184 ((3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-cyclo...) Show SMILES O[C@H]1[C@H](Cc2ccc(O)c(Br)c2)CS(=O)(=O)C[C@@H]1NCc1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human BACE-1				Bioorg Med Chem Lett 21: 1942-7 (2011) Article DOI: 10.1016/j.bmcl.2011.02.038 BindingDB Entry DOI: 10.7270/Q2DZ08MC
					More data for this Ligand-Target Pair				3D Structure (crystal)