BDBM352261 US9802928, 1q

SMILES: COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1

InChI Key: InChIKey=HYSVXKHVNMBZKC-LJQANCHMSA-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 = 352261   

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))	BDBM352261 (US9802928, 1q) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1 |r| Show InChI InChI=1S/C20H23FN6O4S/c1-11-16(23-10-15(24-11)31-4)17(28)25-12-5-6-14(21)13(9-12)19(2)20(7-8-20)32(29,30)27(3)18(22)26-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,26)(H,25,28)/t19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	38	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))	BDBM352261 (US9802928, 1q) Show SMILES COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@@]2(C)NC(=N)N(C)S(=O)(=O)C22CC2)c(C)n1 |r| Show InChI InChI=1S/C20H23FN6O4S/c1-11-16(23-10-15(24-11)31-4)17(28)25-12-5-6-14(21)13(9-12)19(2)20(7-8-20)32(29,30)27(3)18(22)26-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,26)(H,25,28)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	41	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