null

SMILES: COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=OHJQIORTAHXAAP-KAYWLYCHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 256788   

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))	BDBM256788 (US9489013, 59) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-11.8	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 US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM256788 (US9489013, 59) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(C1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H29FN6O6S2/c1-26(21-15-18(9-11-22(21)28)31-24(35)23-12-10-19(40-3)16-30-23)27(42(38,39)33(2)25(29)32-26)13-14-34(17-27)41(36,37)20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3,(H2,29,32)(H,31,35)/t26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-10.8	n/a	n/a	n/a	n/a	n/a	5.0	30
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibitor IC50's at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEV...				US Patent US9489013 (2016) BindingDB Entry DOI: 10.7270/Q2Q81C18
					More data for this Ligand-Target Pair