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SMILES: COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1

InChI Key: InChIKey=GBFSOMOOYFFZFW-LBUQITIBSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 228014   

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))	BDBM228014 (US10047098, 42) Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1 |r| Show InChI InChI=1S/C22H24FN5O4/c1-28-20(29)15-8-17(12-3-4-12)31-11-22(15,27-21(28)24)14-7-13(5-6-16(14)23)32-19-10-25-9-18(26-19)30-2/h5-7,9-10,12,15,17H,3-4,8,11H2,1-2H3,(H2,24,27)/t15-,17+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...				US Patent US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM228014 (US10047098, 42) Show SMILES COc1cncc(Oc2ccc(F)c(c2)[C@]23CO[C@H](C[C@H]2C(=O)N(C)C(=N)N3)C2CC2)n1 |r| Show InChI InChI=1S/C22H24FN5O4/c1-28-20(29)15-8-17(12-3-4-12)31-11-22(15,27-21(28)24)14-7-13(5-6-16(14)23)32-19-10-25-9-18(26-19)30-2/h5-7,9-10,12,15,17H,3-4,8,11H2,1-2H3,(H2,24,27)/t15-,17+,22+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	51	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 US10047098 (2018) BindingDB Entry DOI: 10.7270/Q2V69MMC
					More data for this Ligand-Target Pair