BDBM186052 US9163011, 6

SMILES: COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F

InChI Key: InChIKey=WPEMUUFTBABGBW-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 186052   

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))	BDBM186052 (US9163011, 6) Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5| Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	650	n/a	n/a	n/a	n/a	4.5	25
NOVARTIS AG US Patent					Assay Description Recombinant BACE-1 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM186052 (US9163011, 6) Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5| Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description Chinese hamster ovary cells are transfected with the human gene for amyloid precursor protein. The cells are plated at a density of 8000 cells/well i...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM186052 (US9163011, 6) Show SMILES COCC[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(cc2Cl)C(F)(F)F)ccc1F |r,t:5| Show InChI InChI=1S/C19H16ClF6N5O3/c1-33-5-4-17(18(22,23)8-34-16(27)31-17)14-11(21)2-3-12(29-14)30-15(32)13-10(20)6-9(7-28-13)19(24,25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,27,31)(H,29,30,32)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	4.5	25
NOVARTIS AG US Patent					Assay Description Recombinant BACE-2 (extracellular domain, expressed in baculovirus and purified using standard methods) at 0.1 to 1 nM concentrations is incubated wi...				US Patent US9163011 (2015) BindingDB Entry DOI: 10.7270/Q2Z60MV1
					More data for this Ligand-Target Pair