BDBM50341176 (4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dioxido-5-{[3-(propan-2-yl)benzyl]amino}tetrahydro-2H-thiopyran-3-yl]methyl}benzyl)-3-propyl-1,3-oxazolidin-2-one::(S)-4-{2-Hydroxy-5-[(3S,4S,5R)-4-hydroxy-5-(3-isopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-3-ylmethyl]-benzyl}-3-propyl-oxazolidin-2-one::CHEMBL1615184

SMILES: CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O

InChI Key: InChIKey=JYNDAPHZRSRSGI-KAHNYGAISA-N

Data: 2 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 2 hits for monomerid = 50341176   

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
Cathepsin D (Homo sapiens (Human))	BDBM50341176 ((4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dio...) Show SMILES CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O |r| Show InChI InChI=1S/C29H40N2O6S/c1-4-10-31-25(16-37-29(31)34)14-23-11-20(8-9-27(23)32)12-24-17-38(35,36)18-26(28(24)33)30-15-21-6-5-7-22(13-21)19(2)3/h5-9,11,13,19,24-26,28,30,32-33H,4,10,12,14-18H2,1-3H3/t24-,25+,26+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.40E+3	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 cathepsin D				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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50341176 ((4S)-4-(2-hydroxy-5-{[(3S,4S,5R)-4-hydroxy-1,1-dio...) Show SMILES CCCN1[C@@H](Cc2cc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)C)[C@H]3O)ccc2O)COC1=O |r| Show InChI InChI=1S/C29H40N2O6S/c1-4-10-31-25(16-37-29(31)34)14-23-11-20(8-9-27(23)32)12-24-17-38(35,36)18-26(28(24)33)30-15-21-6-5-7-22(13-21)19(2)3/h5-9,11,13,19,24-26,28,30,32-33H,4,10,12,14-18H2,1-3H3/t24-,25+,26+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	150	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)