BDBM101026 US8507479, 664

SMILES: Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F

InChI Key: InChIKey=AYYBFTWPIBNTMS-OAHLLOKOSA-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 = 101026   

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))	BDBM101026 (US8507479, 664) Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:20| Show InChI InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-25-8)13(24)22-9-3-4-11(17)10(5-9)15(2)16(18,19)7-26-14(20)23-15/h3-6H,7H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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))	BDBM101026 (US8507479, 664) Show SMILES Cc1nc(co1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)SCC1(F)F |r,t:20| Show InChI InChI=1S/C16H15F3N4O2S/c1-8-21-12(6-25-8)13(24)22-9-3-4-11(17)10(5-9)15(2)16(18,19)7-26-14(20)23-15/h3-6H,7H2,1-2H3,(H2,20,23)(H,22,24)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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