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.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341184   

TargetBeta-secretase 1(Homo sapiens (Human))
Novartis Institutes for BioMedical Research

Curated by ChEMBL
LigandPNGBDBM50341184((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
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
Affinity DataIC50: 950nMAssay Description:Inhibition of human BACE-1More data for this Ligand-Target Pair