BDBM352253 US9802928, 1i

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O

InChI Key: InChIKey=QMYDGOMATQIVFT-QGZVFWFLSA-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 = 352253   

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))	BDBM352253 (US9802928, 1i) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)12-7-11(3-4-13(12)20)27-15(30)14-25-8-10(9-26-14)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9802928 (2017) BindingDB Entry DOI: 10.7270/Q21Z46K6
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM352253 (US9802928, 1i) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cn3)C(F)(F)F)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C19H18F4N6O3S/c1-17(18(5-6-18)33(31,32)29(2)16(24)28-17)12-7-11(3-4-13(12)20)27-15(30)14-25-8-10(9-26-14)19(21,22)23/h3-4,7-9H,5-6H2,1-2H3,(H2,24,28)(H,27,30)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	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 US9802928 (2017) BindingDB Entry DOI: 10.7270/Q21Z46K6
					More data for this Ligand-Target Pair