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SMILES: COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1

InChI Key: InChIKey=GVJRWXKACKVIRD-NRFANRHFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 291152   

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))	BDBM291152 (US9580396, Example 5o) Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 |r| Show InChI InChI=1S/C21H25N5O4S/c1-13-9-16(30-3)11-23-18(13)19(27)24-15-7-6-14-5-4-8-21(17(14)10-15)12-31(28,29)26(2)20(22)25-21/h6-7,9-11H,4-5,8,12H2,1-3H3,(H2,22,25)(H,24,27)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	17	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))	BDBM291152 (US9580396, Example 5o) Show SMILES COc1cnc(C(=O)Nc2ccc3CCC[C@]4(CS(=O)(=O)N(C)C(=N)N4)c3c2)c(C)c1 |r| Show InChI InChI=1S/C21H25N5O4S/c1-13-9-16(30-3)11-23-18(13)19(27)24-15-7-6-14-5-4-8-21(17(14)10-15)12-31(28,29)26(2)20(22)25-21/h6-7,9-11H,4-5,8,12H2,1-3H3,(H2,22,25)(H,24,27)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	119	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