BDBM101032 US8507479, 689

SMILES: COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O

InChI Key: InChIKey=ZUARGEIOHVXBSK-QGZVFWFLSA-N

Data: 2 IC50

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 = 101032   

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))	BDBM101032 (US8507479, 689) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22| Show InChI InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using human BACE-1.				US Patent US8541408 (2013) BindingDB Entry DOI: 10.7270/Q2KK99D8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM101032 (US8507479, 689) Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1=O |r,t:22| Show InChI InChI=1S/C17H16FN5O3S/c1-17(13(24)8-27-16(19)23-17)10-5-9(3-4-11(10)18)22-15(25)12-6-21-14(26-2)7-20-12/h3-7H,8H2,1-2H3,(H2,19,23)(H,22,25)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Beta-Secretase inhibition assay.				US Patent US8507479 (2013) BindingDB Entry DOI: 10.7270/Q2KS6Q6G
					More data for this Ligand-Target Pair