BDBM38222 US8546380, 436::US8633188, 436

SMILES: Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1

InChI Key: InChIKey=YBFOOYGOQXCPKH-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 = 38222   

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))	BDBM38222 (US8546380, 436 | US8633188, 436) Show SMILES Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C18H20BrN3O2S/c1-10-6-11(2)24-15(10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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))	BDBM38222 (US8546380, 436 | US8633188, 436) Show SMILES Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 |c:25| Show InChI InChI=1S/C18H20BrN3O2S/c1-10-6-11(2)24-15(10)16(23)21-14-8-12(7-13(19)9-14)18(3)4-5-25-17(20)22-18/h6-9H,4-5H2,1-3H3,(H2,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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