BDBM256770 US9489013, 41

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O

InChI Key: InChIKey=JYBYZESYNAYNQK-CLJLJLNGSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 256770   

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))	BDBM256770 (US9489013, 41) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O |r| Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	-11.8	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))	BDBM256770 (US9489013, 41) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)[C@]2(CCN(Cc3ccccn3)C2)S1(=O)=O |r| Show InChI InChI=1S/C26H27F2N7O3S/c1-25(20-13-18(7-8-21(20)28)32-23(36)22-9-6-17(27)14-31-22)26(39(37,38)34(2)24(29)33-25)10-12-35(16-26)15-19-5-3-4-11-30-19/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H2,29,33)(H,32,36)/t25-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-11.4	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