BDBM35652 US8546380, 664::US8633188, 664

SMILES: COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1

InChI Key: InChIKey=CWSPCNJAYNLGIT-UHFFFAOYSA-N

Data: 2 IC50

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 = 35652   

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))	BDBM35652 (US8546380, 664 | US8633188, 664) Show SMILES COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:31| Show InChI InChI=1S/C21H22F3N3O3S/c1-20(7-8-31-19(25)27-20)15-9-13(12-29-2)10-16(11-15)26-18(28)14-3-5-17(6-4-14)30-21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM35652 (US8546380, 664 | US8633188, 664) Show SMILES COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:31| Show InChI InChI=1S/C21H22F3N3O3S/c1-20(7-8-31-19(25)27-20)15-9-13(12-29-2)10-16(11-15)26-18(28)14-3-5-17(6-4-14)30-21(22,23)24/h3-6,9-11H,7-8,12H2,1-2H3,(H2,25,27)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair