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SMILES: CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F

InChI Key: InChIKey=PXSZYCDQHYLPTG-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 249120   

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))	BDBM249120 (US9453034, 39) Show SMILES CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C22H25FN6O5S/c1-21(12-35(32,33)22(19(24)28-21)10-29(11-22)20(31)25-2)15-8-13(4-6-16(15)23)27-18(30)17-7-5-14(34-3)9-26-17/h4-9H,10-12H2,1-3H3,(H2,24,28)(H,25,31)(H,27,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	-12.2	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 US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM249120 (US9453034, 39) Show SMILES CNC(=O)N1CC2(C1)C(=N)N[C@@](C)(CS2(=O)=O)c1cc(NC(=O)c2ccc(OC)cn2)ccc1F |r| Show InChI InChI=1S/C22H25FN6O5S/c1-21(12-35(32,33)22(19(24)28-21)10-29(11-22)20(31)25-2)15-8-13(4-6-16(15)23)27-18(30)17-7-5-14(34-3)9-26-17/h4-9H,10-12H2,1-3H3,(H2,24,28)(H,25,31)(H,27,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.30	-11.3	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 US9453034 (2016) BindingDB Entry DOI: 10.7270/Q27P8XBC
					More data for this Ligand-Target Pair