BDBM259169 US9499502, 27bk-a

SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1

InChI Key: InChIKey=LJVPBFAZHIFHIY-OALUTQOASA-N

Data: 2 KI

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 = 259169   

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))	BDBM259169 (US9499502, 27bk-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r| Show InChI InChI=1S/C20H18F4N4O3S2/c1-18(9-33(29,30)19(2,17(25)27-18)8-20(22,23)24)15-13(21)7-14(32-15)11-4-3-5-12(6-11)16-28-26-10-31-16/h3-7,10H,8-9H2,1-2H3,(H2,25,27)/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.70	-11.5	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM259169 (US9499502, 27bk-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(CC(F)(F)F)C(=N)N1)c1sc(cc1F)-c1cccc(c1)-c1nnco1 |r| Show InChI InChI=1S/C20H18F4N4O3S2/c1-18(9-33(29,30)19(2,17(25)27-18)8-20(22,23)24)15-13(21)7-14(32-15)11-4-3-5-12(6-11)16-28-26-10-31-16/h3-7,10H,8-9H2,1-2H3,(H2,25,27)/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-11.2	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...				US Patent US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair