BDBM352255 US9802928, 1k

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O

InChI Key: InChIKey=NGRPNJWYIZOAPX-HXUWFJFHSA-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 = 352255   

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))	BDBM352255 (US9802928, 1k) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-17(12)18(29)26-14-4-5-16(22)15(9-14)20(2)21(6-7-21)32(30,31)28(3)19(24)27-20/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,27)(H,26,29)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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))	BDBM352255 (US9802928, 1k) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ncc(cc3C)C#N)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C21H21FN6O3S/c1-12-8-13(10-23)11-25-17(12)18(29)26-14-4-5-16(22)15(9-14)20(2)21(6-7-21)32(30,31)28(3)19(24)27-20/h4-5,8-9,11H,6-7H2,1-3H3,(H2,24,27)(H,26,29)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	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