BDBM50196737 CHEMBL409948::S-tetrahydrofuran-3-yl (S)-1-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-ylamino)-3-(butylsulfonyl)-1-oxopropan-2-ylcarbamothioate

SMILES: CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1

InChI Key: InChIKey=FMLMGLVVGNKBJT-WGAJCZKHSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 50196737   

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))	BDBM50196737 (CHEMBL409948 | S-tetrahydrofuran-3-yl (S)-1-((2S,3...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50196737 (CHEMBL409948 | S-tetrahydrofuran-3-yl (S)-1-((2S,3...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50196737 (CHEMBL409948 | S-tetrahydrofuran-3-yl (S)-1-((2S,3...) Show SMILES CCCCS(=O)(=O)C[C@@H](NC(=O)SC1CCOC1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1 Show InChI InChI=1S/C31H43F2N3O6S2/c1-3-5-11-44(40,41)20-28(36-31(39)43-26-9-10-42-19-26)30(38)35-27(15-23-13-24(32)16-25(33)14-23)29(37)18-34-17-22-8-6-7-21(4-2)12-22/h6-8,12-14,16,26-29,34,37H,3-5,9-11,15,17-20H2,1-2H3,(H,35,38)(H,36,39)/t26?,27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE expressed in HEK293 cells				Bioorg Med Chem Lett 17: 78-81 (2006) Article DOI: 10.1016/j.bmcl.2006.09.091 BindingDB Entry DOI: 10.7270/Q22N51X6
					More data for this Ligand-Target Pair