null

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O

InChI Key: InChIKey=TUKOIDTVYQNYBI-IKOFQBKESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 256735   

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))	BDBM256735 (US9489013, 6) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O |r| Show InChI InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.70	-11.9	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))	BDBM256735 (US9489013, 6) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C2(CCN(C2)C(=O)CC2CC2)S1(=O)=O |r| Show InChI InChI=1S/C25H28F2N6O4S/c1-24(18-12-17(6-7-19(18)27)30-22(35)20-8-5-16(26)13-29-20)25(38(36,37)32(2)23(28)31-24)9-10-33(14-25)21(34)11-15-3-4-15/h5-8,12-13,15H,3-4,9-11,14H2,1-2H3,(H2,28,31)(H,30,35)/t24-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.20	-11.5	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