null

SMILES: COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1

InChI Key: InChIKey=WNHOUMACKAGPIW-CLJLJLNGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 256745   

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))	BDBM256745 (US9489013, 16) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1 |r| Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	-11.6	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))	BDBM256745 (US9489013, 16) Show SMILES COc1ccc(nc1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)NC(=N)N(C)S(=O)(=O)[C@@]11CCN(Cc2cnn(C)c2)C1 |r| Show InChI InChI=1S/C26H31FN8O4S/c1-25(20-11-18(5-7-21(20)27)31-23(36)22-8-6-19(39-4)13-29-22)26(40(37,38)34(3)24(28)32-25)9-10-35(16-26)15-17-12-30-33(2)14-17/h5-8,11-14H,9-10,15-16H2,1-4H3,(H2,28,32)(H,31,36)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	-10.5	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