BDBM352252 US9802928, 1h

SMILES: CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O

InChI Key: InChIKey=UCCYOUBYPQTNGK-MRXNPFEDSA-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 = 352252   

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 2 (Homo sapiens (Human))	BDBM352252 (US9802928, 1h) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C17H19FN6O4S/c1-9-20-13(23-28-9)14(25)21-10-4-5-12(18)11(8-10)16(2)17(6-7-17)29(26,27)24(3)15(19)22-16/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	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
Beta-secretase 1 (Homo sapiens (Human))	BDBM352252 (US9802928, 1h) Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3noc(C)n3)ccc2F)C2(CC2)S1(=O)=O |r| Show InChI InChI=1S/C17H19FN6O4S/c1-9-20-13(23-28-9)14(25)21-10-4-5-12(18)11(8-10)16(2)17(6-7-17)29(26,27)24(3)15(19)22-16/h4-5,8H,6-7H2,1-3H3,(H2,19,22)(H,21,25)/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31	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