null

SMILES: CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O

InChI Key: InChIKey=JEIYFYBPKPLDRP-IBGZPJMESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 291109   

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 2 (Homo sapiens (Human))	BDBM291109 (US9580396, Example 2a) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C19H20FN5O5S/c1-25-18(21)24-19(10-31(25,27)28)6-7-29-16-5-2-12(8-14(16)19)23-17(26)15-4-3-13(9-22-15)30-11-20/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	59	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
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 US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM291109 (US9580396, Example 2a) Show SMILES CN1C(=N)N[C@@]2(CCOc3ccc(NC(=O)c4ccc(OCF)cn4)cc23)CS1(=O)=O |r| Show InChI InChI=1S/C19H20FN5O5S/c1-25-18(21)24-19(10-31(25,27)28)6-7-29-16-5-2-12(8-14(16)19)23-17(26)15-4-3-13(9-22-15)30-11-20/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,24)(H,23,26)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	91	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
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 US9580396 (2017) BindingDB Entry DOI: 10.7270/Q29K4D9S
					More data for this Ligand-Target Pair