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SMILES: CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1

InChI Key: InChIKey=NFDMMLYHZFVISM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 103414   

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))	BDBM103414 (US8546380, 998 | US8633188, 998) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 |w:13.13,c:6| Show InChI InChI=1S/C20H20ClN3OS/c1-20(11-12-26-19(22)24-20)15-4-2-3-14(13-15)5-10-18(25)23-17-8-6-16(21)7-9-17/h2-10,13H,11-12H2,1H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Zero point five μL of the test compounds (dissolved in N,N′-dimethylsulfoxide) were incubated with 48.5 μL of the fluorescence-quench...				US Patent US8633188 (2014) BindingDB Entry DOI: 10.7270/Q2FT8JQ0
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM103414 (US8546380, 998 | US8633188, 998) Show SMILES CC1(CCSC(N)=N1)c1cccc(C=CC(=O)Nc2ccc(Cl)cc2)c1 |w:13.13,c:6| Show InChI InChI=1S/C20H20ClN3OS/c1-20(11-12-26-19(22)24-20)15-4-2-3-14(13-15)5-10-18(25)23-17-8-6-16(21)7-9-17/h2-10,13H,11-12H2,1H3,(H2,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	5.0	30
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using beta-Secretase activity.				US Patent US8546380 (2013) BindingDB Entry DOI: 10.7270/Q2HQ3XJ0
					More data for this Ligand-Target Pair