BDBM259045 US9499502, 9ds-a

SMILES: C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F

InChI Key: InChIKey=GTUNULWCWIOILM-GOTSBHOMSA-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 = 259045   

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))	BDBM259045 (US9499502, 9ds-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C23H26F2N4O4S/c1-22(13-34(31,32)23(2,21(26)29-22)14-7-9-33-10-8-14)17-11-16(4-5-18(17)25)28-20(30)19-6-3-15(24)12-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.5	-11.7	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 US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM259045 (US9499502, 9ds-a) Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCOCC2)C(=N)N1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r| Show InChI InChI=1S/C23H26F2N4O4S/c1-22(13-34(31,32)23(2,21(26)29-22)14-7-9-33-10-8-14)17-11-16(4-5-18(17)25)28-20(30)19-6-3-15(24)12-27-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,26,29)(H,28,30)/t22-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	<-11.1	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 US9499502 (2016) BindingDB Entry DOI: 10.7270/Q2BV7FJJ
					More data for this Ligand-Target Pair