BDBM38221 US8546380, 740::US8633188, 740

SMILES: NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1

InChI Key: InChIKey=BDACCOISZGTICY-UHFFFAOYSA-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 = 38221   

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))	BDBM38221 (US8546380, 740 | US8633188, 740) Show SMILES NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1| Show InChI InChI=1S/C16H15ClN4OS/c17-11-4-5-14(19-9-11)15(22)20-12-3-1-2-10(8-12)13-6-7-23-16(18)21-13/h1-5,8-9,13H,6-7H2,(H2,18,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	505	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))	BDBM38221 (US8546380, 740 | US8633188, 740) Show SMILES NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1| Show InChI InChI=1S/C16H15ClN4OS/c17-11-4-5-14(19-9-11)15(22)20-12-3-1-2-10(8-12)13-6-7-23-16(18)21-13/h1-5,8-9,13H,6-7H2,(H2,18,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	505	n/a	n/a	n/a	n/a	n/a	n/a
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